[{"@context":"http:\/\/schema.org\/","@type":"BlogPosting","@id":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/3536#BlogPosting","mainEntityOfPage":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/3536","headline":"\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb – Wikipedia","name":"\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb – Wikipedia","description":"\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff08\u82f1: Morse\/Long-range potential, MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff09\u3068\u306f\u4e8c\u539f\u5b50\u5206\u5b50\u5185\u90e8\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8868\u3059\u539f\u5b50\u9593\u76f8\u4e92\u4f5c\u7528\u306e\u30e2\u30c7\u30eb\u306e\u4e00\u3064\u3002\u305d\u306e\u5143\u3068\u306a\u3063\u305f\u30e2\u30fc\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u8abf\u6574\u53ef\u80fd\u306a\u30d1\u30e9\u30e1\u30fc\u30bf\u30923\u3064\u3057\u304b\u6301\u305f\u305a\u5358\u7d14\u3059\u304e\u308b\u305f\u3081\u3001\u73fe\u4ee3\u306e\u5206\u5149\u5b66\u3067\u306f\u4f7f\u7528\u3055\u308c\u306a\u304f\u306a\u3063\u3066\u3044\u308b\u3002MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u9577\u8ddd\u96e2\u3067\u306e\u7406\u8ad6\u7684\u306b\u6b63\u78ba\u306a\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u5f62\u72b6\u3092\u81ea\u7136\u306b\u7d44\u307f\u8fbc\u3093\u3060\u73fe\u4ee3\u7248\u3067\u3042\u308b[1]\u30022009\u5e74\u306b\u30a6\u30a9\u30fc\u30bf\u30fc\u30eb\u30fc\u5927\u5b66\u306e\u30ed\u30d0\u30fc\u30c8\u30fbJ\u30fb\u30eb\u30ed\u30a4\uff08\u82f1\u8a9e\u7248\uff09\u3001\u30aa\u30c3\u30af\u30b9\u30d5\u30a9\u30fc\u30c9\u5927\u5b66\u306eNike Dattani\u3001\u30c0\u30eb\u30cf\u30a6\u30b8\u30fc\u5927\u5b66\u306e\u30b8\u30e7\u30f3\u30fbA\u30fb\u30b3\u30af\u30bd\u30f3\u306b\u3088\u3063\u3066\u521d\u3081\u3066\u63d0\u6848\u3055\u308c\u305f[1]\u3002\u305d\u308c\u4ee5\u6765\u73fe\u5728\u307e\u3067\u5b9f\u9a13\u30c7\u30fc\u30bf\u306e\u8868\u73fe\u30fb\u6e2c\u5b9a\u306e\u691c\u8a3c\u30fb\u4e88\u6e2c\u306e\u305f\u3081\u306e\u30c4\u30fc\u30eb\u3068\u3057\u3066\u5206\u5149\u5b66\u8005\u306b\u3068\u3063\u3066\u91cd\u8981\u306a\u4f4d\u7f6e\u3092\u5360\u3081\u7d9a\u3051\u3066\u3044\u308b\u3002\u3053\u306e\u30e2\u30c7\u30eb\u306b\u3064\u3044\u3066\u306f\u3001\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u7279\u5b9a\u9818\u57df\u3067\u30c7\u30fc\u30bf\u304c\u6b20\u843d\u3057\u3066\u3044\u308b\u5834\u5408\u3082\u5916\u633f\u304c\u53ef\u80fd\u3067\u3042\u308a\u3001\u3082\u3063\u3068\u3082\u6d17\u7df4\u3055\u308c\u305f\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3088\u308a\u3082\u7cbe\u5ea6\u3088\u304f\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u4e88\u60f3\u3067\u304d\u308b\u3053\u3068\u304c\u591a\u304f\u3001\u89e3\u96e2\u30a8\u30cd\u30eb\u30ae\u30fc\u30fb\u5e73\u8861\u7d50\u5408\u9577\u30fb\u9577\u8ddd\u96e2\u5b9a\u6570\u306e\u3088\u3046\u306a\u7269\u7406\u30d1\u30e9\u30e1\u30fc\u30bf\u306e\u7d4c\u9a13\u7684\u306a\u5024\u3092\u6b63\u78ba\u306b\u4e0e\u3048\u3066\u304f\u308c\u308b\u3053\u3068\u304c\u77e5\u3089\u308c\u3066\u3044\u308b\u3002\u7279\u7b46\u3059\u3079\u304d\u4e8b\u4f8b\u306b\u306f\u4ee5\u4e0b\u304c\u3042\u308b\u3002 Li2\u306ec\u72b6\u614b: 5000 cm\u2212 1\u306b\u308f\u305f\u308b\u5b9f\u9a13\u30c7\u30fc\u30bf\u306e\u6b20\u843d\u304cMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306b\u3088\u3063\u3066\u57cb\u3081\u3089\u308c\u305f\u4f8b[2]\u30022\u5e74\u5f8c\u3001Dattani\u306b\u3088\u308b\u3053\u306e\u30e2\u30c7\u30eb\u304c\u30ae\u30e3\u30c3\u30d7\u4e2d\u592e\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u304a\u3088\u305d1 cm\u2212 1\u4ee5\u5185\u306e\u7cbe\u5ea6\u3067\u6b63\u3057\u304f\u4e88\u60f3\u3057\u3066\u3044\u305f\u3053\u3068\u304c\u5206\u304b\u3063\u305f[3]\u3002\u3053\u306e\u7cbe\u5ea6\u306f\u5f53\u6642\u306e\u3082\u3063\u3068\u3082\u6d17\u7df4\u3055\u308c\u305f\u7b2c\u4e00\u539f\u7406\u6cd5\u3088\u308a\u306f\u308b\u304b\u306b\u512a\u308c\u3066\u3044\u305f[4]\u3002 Li2\u306eA\u72b6\u614b: \u30eb\u30ed\u30a4\u3089\u306b\u3088\u3063\u3066\u69cb\u7bc9\u3055\u308c\u305fMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u304c[1]\u3001\u904e\u53bb\u306b\u6e2c\u5b9a\u3055\u308c\u305f\u3044\u304b\u306a\u308b\u539f\u5b50\u632f\u52d5\u5b50\u5f37\u5ea6\u3088\u308a\u30821\u6841\u9ad8\u3044\u7cbe\u5ea6\u3067\u539f\u5b50\u30ea\u30c1\u30a6\u30e0\u306eC3\u5024\u3092\u4e0e\u3048\u305f\u4f8b[5]\u3002\u3053\u306e\u632f\u52d5\u5b50\u5f37\u5ea6\u306f\u539f\u5b50\u30ea\u30c1\u30a6\u30e0\u306e\u653e\u5c04\u5bff\u547d\u306b\u95a2\u9023\u3057\u3066\u304a\u308a\u3001\u539f\u5b50\u6642\u8a08\u3001\u304a\u3088\u3073\u666e\u904d\u5b9a\u6570\u6e2c\u5b9a\u306e\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u3068\u3057\u3066\u7528\u3044\u3089\u308c\u308b\u3002\u30eb\u30ed\u30a4\u3089\u306e\u696d\u7e3e\u306f\u300c\u4e8c\u539f\u5b50\u30b9\u30da\u30af\u30c8\u30eb\u5206\u6790\u306e\u30e9\u30f3\u30c9\u30de\u30fc\u30af\u300d\u3068\u547c\u3070\u308c\u305f[5]\u3002 KLi\u306ea\u72b6\u614b: 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\u4e00\u822c\u7684\u306a\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u6b21\u306e\u3088\u3046\u306a\u95a2\u6570\u5f62\u3092\u6301\u3064[15]\u3002 V(r)=De(1\u2212u(r)u(re)e\u2212\u03b2(r)ypeq(r))2\u2212De+Vlim{displaystyle V(r)={mathfrak","datePublished":"2020-03-01","dateModified":"2020-03-01","author":{"@type":"Person","@id":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/author\/lordneo#Person","name":"lordneo","url":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/author\/lordneo","image":{"@type":"ImageObject","@id":"https:\/\/secure.gravatar.com\/avatar\/c9645c498c9701c88b89b8537773dd7c?s=96&d=mm&r=g","url":"https:\/\/secure.gravatar.com\/avatar\/c9645c498c9701c88b89b8537773dd7c?s=96&d=mm&r=g","height":96,"width":96}},"publisher":{"@type":"Organization","name":"Enzyklop\u00e4die","logo":{"@type":"ImageObject","@id":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/08\/download.jpg","url":"https:\/\/wiki.edu.vn\/wiki4\/wp-content\/uploads\/2023\/08\/download.jpg","width":600,"height":60}},"image":{"@type":"ImageObject","@id":"https:\/\/wikimedia.org\/api\/rest_v1\/media\/math\/render\/svg\/f142a9c60b16ba153d7688792846fd7591277830","url":"https:\/\/wikimedia.org\/api\/rest_v1\/media\/math\/render\/svg\/f142a9c60b16ba153d7688792846fd7591277830","height":"","width":""},"url":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/3536","about":["Wiki"],"wordCount":11288,"articleBody":"\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff08\u82f1: Morse\/Long-range potential, MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\uff09\u3068\u306f\u4e8c\u539f\u5b50\u5206\u5b50\u5185\u90e8\u306e\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u8868\u3059\u539f\u5b50\u9593\u76f8\u4e92\u4f5c\u7528\u306e\u30e2\u30c7\u30eb\u306e\u4e00\u3064\u3002\u305d\u306e\u5143\u3068\u306a\u3063\u305f\u30e2\u30fc\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u8abf\u6574\u53ef\u80fd\u306a\u30d1\u30e9\u30e1\u30fc\u30bf\u30923\u3064\u3057\u304b\u6301\u305f\u305a\u5358\u7d14\u3059\u304e\u308b\u305f\u3081\u3001\u73fe\u4ee3\u306e\u5206\u5149\u5b66\u3067\u306f\u4f7f\u7528\u3055\u308c\u306a\u304f\u306a\u3063\u3066\u3044\u308b\u3002MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u9577\u8ddd\u96e2\u3067\u306e\u7406\u8ad6\u7684\u306b\u6b63\u78ba\u306a\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u5f62\u72b6\u3092\u81ea\u7136\u306b\u7d44\u307f\u8fbc\u3093\u3060\u73fe\u4ee3\u7248\u3067\u3042\u308b[1]\u30022009\u5e74\u306b\u30a6\u30a9\u30fc\u30bf\u30fc\u30eb\u30fc\u5927\u5b66\u306e\u30ed\u30d0\u30fc\u30c8\u30fbJ\u30fb\u30eb\u30ed\u30a4\uff08\u82f1\u8a9e\u7248\uff09\u3001\u30aa\u30c3\u30af\u30b9\u30d5\u30a9\u30fc\u30c9\u5927\u5b66\u306eNike Dattani\u3001\u30c0\u30eb\u30cf\u30a6\u30b8\u30fc\u5927\u5b66\u306e\u30b8\u30e7\u30f3\u30fbA\u30fb\u30b3\u30af\u30bd\u30f3\u306b\u3088\u3063\u3066\u521d\u3081\u3066\u63d0\u6848\u3055\u308c\u305f[1]\u3002\u305d\u308c\u4ee5\u6765\u73fe\u5728\u307e\u3067\u5b9f\u9a13\u30c7\u30fc\u30bf\u306e\u8868\u73fe\u30fb\u6e2c\u5b9a\u306e\u691c\u8a3c\u30fb\u4e88\u6e2c\u306e\u305f\u3081\u306e\u30c4\u30fc\u30eb\u3068\u3057\u3066\u5206\u5149\u5b66\u8005\u306b\u3068\u3063\u3066\u91cd\u8981\u306a\u4f4d\u7f6e\u3092\u5360\u3081\u7d9a\u3051\u3066\u3044\u308b\u3002\u3053\u306e\u30e2\u30c7\u30eb\u306b\u3064\u3044\u3066\u306f\u3001\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u7279\u5b9a\u9818\u57df\u3067\u30c7\u30fc\u30bf\u304c\u6b20\u843d\u3057\u3066\u3044\u308b\u5834\u5408\u3082\u5916\u633f\u304c\u53ef\u80fd\u3067\u3042\u308a\u3001\u3082\u3063\u3068\u3082\u6d17\u7df4\u3055\u308c\u305f\u7b2c\u4e00\u539f\u7406\u8a08\u7b97\u3088\u308a\u3082\u7cbe\u5ea6\u3088\u304f\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u4e88\u60f3\u3067\u304d\u308b\u3053\u3068\u304c\u591a\u304f\u3001\u89e3\u96e2\u30a8\u30cd\u30eb\u30ae\u30fc\u30fb\u5e73\u8861\u7d50\u5408\u9577\u30fb\u9577\u8ddd\u96e2\u5b9a\u6570\u306e\u3088\u3046\u306a\u7269\u7406\u30d1\u30e9\u30e1\u30fc\u30bf\u306e\u7d4c\u9a13\u7684\u306a\u5024\u3092\u6b63\u78ba\u306b\u4e0e\u3048\u3066\u304f\u308c\u308b\u3053\u3068\u304c\u77e5\u3089\u308c\u3066\u3044\u308b\u3002\u7279\u7b46\u3059\u3079\u304d\u4e8b\u4f8b\u306b\u306f\u4ee5\u4e0b\u304c\u3042\u308b\u3002Li2\u306ec\u72b6\u614b: 5000 cm\u2212 1\u306b\u308f\u305f\u308b\u5b9f\u9a13\u30c7\u30fc\u30bf\u306e\u6b20\u843d\u304cMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306b\u3088\u3063\u3066\u57cb\u3081\u3089\u308c\u305f\u4f8b[2]\u30022\u5e74\u5f8c\u3001Dattani\u306b\u3088\u308b\u3053\u306e\u30e2\u30c7\u30eb\u304c\u30ae\u30e3\u30c3\u30d7\u4e2d\u592e\u306e\u30a8\u30cd\u30eb\u30ae\u30fc\u3092\u304a\u3088\u305d1 cm\u2212 1\u4ee5\u5185\u306e\u7cbe\u5ea6\u3067\u6b63\u3057\u304f\u4e88\u60f3\u3057\u3066\u3044\u305f\u3053\u3068\u304c\u5206\u304b\u3063\u305f[3]\u3002\u3053\u306e\u7cbe\u5ea6\u306f\u5f53\u6642\u306e\u3082\u3063\u3068\u3082\u6d17\u7df4\u3055\u308c\u305f\u7b2c\u4e00\u539f\u7406\u6cd5\u3088\u308a\u306f\u308b\u304b\u306b\u512a\u308c\u3066\u3044\u305f[4]\u3002Li2\u306eA\u72b6\u614b: \u30eb\u30ed\u30a4\u3089\u306b\u3088\u3063\u3066\u69cb\u7bc9\u3055\u308c\u305fMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u304c[1]\u3001\u904e\u53bb\u306b\u6e2c\u5b9a\u3055\u308c\u305f\u3044\u304b\u306a\u308b\u539f\u5b50\u632f\u52d5\u5b50\u5f37\u5ea6\u3088\u308a\u30821\u6841\u9ad8\u3044\u7cbe\u5ea6\u3067\u539f\u5b50\u30ea\u30c1\u30a6\u30e0\u306eC3\u5024\u3092\u4e0e\u3048\u305f\u4f8b[5]\u3002\u3053\u306e\u632f\u52d5\u5b50\u5f37\u5ea6\u306f\u539f\u5b50\u30ea\u30c1\u30a6\u30e0\u306e\u653e\u5c04\u5bff\u547d\u306b\u95a2\u9023\u3057\u3066\u304a\u308a\u3001\u539f\u5b50\u6642\u8a08\u3001\u304a\u3088\u3073\u666e\u904d\u5b9a\u6570\u6e2c\u5b9a\u306e\u30d9\u30f3\u30c1\u30de\u30fc\u30af\u3068\u3057\u3066\u7528\u3044\u3089\u308c\u308b\u3002\u30eb\u30ed\u30a4\u3089\u306e\u696d\u7e3e\u306f\u300c\u4e8c\u539f\u5b50\u30b9\u30da\u30af\u30c8\u30eb\u5206\u6790\u306e\u30e9\u30f3\u30c9\u30de\u30fc\u30af\u300d\u3068\u547c\u3070\u308c\u305f[5]\u3002KLi\u306ea\u72b6\u614b: \u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u6700\u4e0a\u90e8\u4ed8\u8fd1\u306e\u308f\u305a\u304b\u306a\u533a\u9593\u306e\u30c7\u30fc\u30bf\u3057\u304b\u5b58\u5728\u3057\u306a\u304b\u3063\u305f\u306b\u3082\u304b\u304b\u308f\u3089\u305a\u3001\u89e3\u6790\u7684\u306a\u5927\u57dfMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u69cb\u7bc9\u306b\u6210\u529f\u3057\u305f\u4f8b[6]\u3002\u6b74\u53f2\u7684\u8d77\u6e90[\u7de8\u96c6]MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u30d5\u30a3\u30ea\u30c3\u30d7\u30fbM\u30fb\u30e2\u30fc\u30b9\uff08\u82f1\u8a9e\u7248\uff09\u304c1929\u5e74\u306b\u63d0\u5531\u3057\u305f\u53e4\u5178\u7684\u30e2\u30fc\u30b9\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306b\u57fa\u3065\u304f\u3082\u306e\u3067\u3042\u308b\u3002\u521d\u671f\u578b\u306eMLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f2006\u5e74\u306b\u30ed\u30d0\u30fc\u30c8\u30fbJ\u30fb\u30eb\u30ed\u30a4\u304cN2\u306e\u7814\u7a76\u306e\u305f\u3081\u306b\u6700\u521d\u306b\u5c0e\u5165\u3057\u305f[7]\u3002\u3053\u306e\u30e2\u30c7\u30eb\u304cCa2[8]\u3001KLi[6]\u3001MgH[9][10][11]\u306b\u9069\u7528\u3055\u308c\u305f\u5f8c\u30012009\u5e74\u306b\u30eb\u30ed\u30a4\u3001Dattani\u3001\u30b3\u30af\u30bd\u30f3\u3089\u304c\u3088\u308a\u65b0\u3057\u3044\u30e2\u30c7\u30eb\u3092\u63d0\u5531\u3057\u305f[1]\u3002MLR3\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3068\u547c\u3070\u308c\u308b\u62e1\u5f35\u578b\u306f2010\u5e74\u306bCs2\u306e\u7814\u7a76\u306e\u4e2d\u3067\u5c0e\u5165\u3055\u308c[12]\u3001\u6b21\u3044\u3067HF[13][14]\u3001HCl[13][14]\u3001HBr[13][14]\u3001HI[13][14]\u306b\u9069\u7528\u3055\u308c\u3066\u304d\u305f\u3002\u4e00\u822c\u7684\u306a\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u6b21\u306e\u3088\u3046\u306a\u95a2\u6570\u5f62\u3092\u6301\u3064[15]\u3002V(r)=De(1\u2212u(r)u(re)e\u2212\u03b2(r)ypeq(r))2\u2212De+Vlim{displaystyle V(r)={mathfrak {D}}_{e}left(1-{frac {u(r)}{u(r_{e})}}e^{-beta (r)y_{p}^{rm {eq}}(r)}right)^{2}-{mathfrak {D}}_{e}+V_{rm {lim}}}\u3053\u3053\u3067 De{displaystyle {mathfrak {D}}_{e}} \u306f\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u6df1\u3055\u3001Vlim{displaystyle V_{rm {lim}}} \u306f\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u6f38\u8fd1\u5024\u3092\u610f\u5473\u3059\u308b\u3002\u6307\u6570\u306e ypeq(r){displaystyle y_{p}^{rm {eq}}(r)} \u306f\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u5b9a\u7fa9\u3055\u308c\u3001\u9577\u8ddd\u96e2\u306e\u6975\u9650\u3067 ypeq(r)\u21921{displaystyle y_{p}^{rm {eq}}(r)rightarrow 1} \u3068\u306a\u308b\u3002ypeq(r)=rp\u2212reqprp+reqp{displaystyle y_{p}^{rm {eq}}(r)={frac {r^{p}-r_{rm {eq}}^{p}}{r^{p}+r_{rm {eq}}^{p}}}}req{displaystyle r_{rm {eq}}} \u306f\u5e73\u8861\u8ddd\u96e2\u3067\u3042\u308b\u3002\u03b2(r){displaystyle beta (r)} \u306f ypeq(r){displaystyle y_{p}^{rm {eq}}(r)} \u3068\u540c\u5f62\u306e\u95a2\u6570 yqref(r){displaystyle y_{q}^{rm {ref}}(r)} \u306b\u3088\u3063\u3066\u4ee5\u4e0b\u306e\u3088\u3046\u306b\u7d1a\u6570\u5c55\u958b\u3055\u308c\u308b\uff08\u6307\u6570 p{displaystyle p} \u306f q{displaystyle q} \u306b\u3001\u5e73\u8861\u8ddd\u96e2 req{displaystyle r_{rm {eq}}} \u306f\u4efb\u610f\u306b\u5b9a\u7fa9\u3055\u308c\u305f\u53c2\u7167\u8ddd\u96e2 rref{displaystyle r_{rm {ref}}} \u306b\u7f6e\u304d\u63db\u3048\u3089\u308c\u308b\uff09\u3002\u03b2(r)=[1\u2212ypref(r)]\u2211i=0N\u03b2\u03b2iyqref(r)i+ypref(r)\u03b2\u221e{displaystyle beta (r)=left[1-y_{p}^{rm {ref}}(r)right]sum _{i=0}^{N_{beta }}beta _{i}y_{q}^{rm {ref}}(r)^{i}+y_{p}^{rm {ref}}(r)beta _{infty }}\u9577\u8ddd\u96e2\u306e\u6975\u9650\u3067\u306f\u3001ypeq(r)\u21921{displaystyle y_{p}^{rm {eq}}(r)rightarrow 1} \u306b\u3088\u308alimr\u2192\u221e\u03b2(r)\u2261\u03b2\u221e=ln\u2061[2Deu(req)]{displaystyle lim _{rrightarrow infty }beta (r)equiv beta _{infty }=ln left[{frac {2{mathfrak {D}}_{e}}{u(r_{rm {eq}})}}right]}\u3068\u306a\u308b\u3002\u4ee5\u4e0a\u3088\u308alimr\u2192\u221eV(r)=\u2212u(r)+u(r)24De+Vlim{displaystyle lim _{rrightarrow infty }V(r)=-u(r)+{frac {u(r)^{2}}{4{mathfrak {D}}_{e}}}+V_{rm {lim}}}\u3067\u3042\u308a\u3001u(r){displaystyle u(r)} \u304c\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306e\u3075\u308b\u307e\u3044\u3092\u652f\u914d\u3059\u308b\u3002\u3053\u306e\u9805\u306f\u7406\u8ad6\u7684\u306b\u8981\u8acb\u3055\u308c\u308b\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u5f62\u72b6\u306b\u5f93\u3063\u3066\u5b9a\u7fa9\u3055\u308c\u308b\u3053\u3068\u306b\u306a\u308b\u3002MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u306f\u69d8\u3005\u306a\u4e8c\u539f\u5b50\u5206\u5b50\u306b\u95a2\u3059\u308b\u5206\u5149\u5b66\u7684\u306a\u5b9f\u9a13\u30c7\u30fc\u30bf\uff08\u306a\u3089\u3073\u306b\u30d3\u30ea\u30a2\u30eb\u4fc2\u6570\u306e\u30c7\u30fc\u30bf\uff09\u306e\u96c6\u7d04[\u8a33\u8a9e\u7591\u554f\u70b9]\u3067\u826f\u597d\u306a\u7d50\u679c\u3092\u6b8b\u3057\u3066\u304d\u305f\u3002\u5206\u5b50\u306e\u4f8b\u306b\u306fN2[7]\u3001Ca2[8]\u3001KLi[6]\u3001MgH[9][10][11]\u3001Li2\u306e\u3044\u304f\u3064\u304b\u306e\u96fb\u5b50\u72b6\u614b[1][2][3][10][16]\u3001Cs2[12][17]\u3001Sr2[18]\u3001ArXe[10][19]\u3001LiCa[20]\u3001LiNa[21]\u3001Br2[22]\u3001Mg2[23]\u3001HF[13][14]\u3001HCl[13][14]\u3001HBr[13][14]\u3001HI[13][14]\u3001MgD[9]\u3001Be2[24]\u3001BeH[25]\u3001NaH[26]\u304c\u3042\u308b\u3002\u591a\u539f\u5b50\u5206\u5b50\u306b\u5bfe\u3057\u3066\u3082\u3001\u3088\u308a\u6d17\u7df4\u3055\u308c\u305f\u5f62\u5f0f\u306eMRL\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u304c\u7528\u3044\u3089\u308c\u308b\u3002ab initio\u306a\u70b9\u3067MLR\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u30d5\u30a3\u30c3\u30c6\u30a3\u30f3\u30b0\u3059\u308b\u3053\u3068\u3082\u4e00\u822c\u306b\u884c\u308f\u308c\u308b\u3088\u3046\u306b\u306a\u3063\u305f\u3002\u3053\u308c\u306b\u3088\u308a\u3001\u7406\u8ad6\u306b\u5373\u3057\u305f\u6b63\u78ba\u306a\u77ed\u8ddd\u96e2\u30fb\u9577\u8ddd\u96e2\u76f8\u4e92\u4f5c\u7528\u3092\u7d44\u307f\u8fbc\u3081\u308bMLR\u306e\u7279\u6027\u3092\u751f\u304b\u3057\u3066\u3001\u5168\u57df\u3067\u89e3\u6790\u7684\u306aab initio\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb\u3092\u69cb\u7bc9\u3059\u308b\u3053\u3068\u304c\u53ef\u80fd\u306b\u306a\u308b\uff08\u901a\u5e38\u3001\u7406\u8ad6\u7684\u306a\u9577\u8ddd\u96e2\u76f8\u4e92\u4f5c\u7528\u306f\u5206\u5b50\u306eab initio\u70b9\u305d\u306e\u3082\u306e\u3088\u308a\u7cbe\u5ea6\u304c\u9ad8\u304f\u306a\u308b\u3002\u7406\u8ad6\u7684\u306a\u9577\u8ddd\u96e2\u76f8\u4e92\u4f5c\u7528\u304c\u5206\u5b50\u3067\u306f\u306a\u304f\u539f\u5b50\u306eab initio\u8a08\u7b97\u306b\u57fa\u3065\u3044\u3066\u304a\u308a\u3001\u5206\u5b50\u306eab initio\u8a08\u7b97\u306b\u53d6\u308a\u5165\u308c\u306b\u304f\u3044\u30b9\u30d4\u30f3\u8ecc\u9053\u76f8\u4e92\u4f5c\u7528\u306e\u3088\u3046\u306a\u8981\u7d20\u3082\u5bb9\u6613\u306b\u6271\u3048\u308b\u305f\u3081\u3067\u3042\u308b\uff09\u3002ab initio\u70b9\u306b\u57fa\u3065\u304fMLR\u304c\u69cb\u7bc9\u3055\u308c\u3066\u3044\u308b\u5206\u5b50\u306e\u4f8b\u3068\u3057\u3066\u306fKLi[27]\u3068KBe[28]\u304c\u3042\u308b\u3002\u95a2\u9023\u9805\u76ee[\u7de8\u96c6]^ a b c d e Le Roy, Robert J.; N. S. Dattani; J. A. Coxon; A. J. Ross; Patrick Crozet; C. Linton (2009). \u201cAccurate analytic potentials for Li2(X) and Li2(A) from 2 to 90 Angstroms, and the radiative lifetime of Li(2p)\u201d. Journal of Chemical Physics 131 (20):  204309. Bibcode:\u00a02009JChPh.131t4309L. doi:10.1063\/1.3264688. PMID\u00a019947682.\u00a0^ a b Dattani, N. S.; R. J. Le Roy (8 May 2013). \u201cA DPF data analysis yields accurate analytic potentials for Li2(a) and Li2(c) that incorporate 3-state mixing near the c-state asymptote\u201d. Journal of Molecular Spectroscopy 268 (1\u20132):  199\u2013210. arXiv:1101.1361. Bibcode:\u00a02011JMoSp.268..199.. doi:10.1016\/j.jms.2011.03.030.\u00a0^ a b Semczuk, M.; Li, X.; Gunton, W.; Haw, M.; Dattani, N. S.; Witz, J.; Mills, A. K.; Jones, D. J. et al.. \u201cHigh-resolution photoassociation spectroscopy of the 6Li2 13\u03a3+ state\u201d. Phys. Rev. A 87:  p.\u00a0052505. doi:10.1103\/PhysRevA.87.052505\u00a0^ Halls, M. S.; H. B. Schlegal; M. J. DeWitt; G. F. W. Drake (18 May 2001). \u201cAb initio calculation of the a-state interaction potential and vibrational levels of 7Li2\u201d. Chemical Physics Letters 339 (5\u20136):  427\u2013432. Bibcode:\u00a02001CPL…339..427H. doi:10.1016\/s0009-2614(01)00403-1. http:\/\/www.chem.wayne.edu\/schlegel\/Pub_folder\/236.pdf.\u00a0^ a b L-Y. Tang; Z-C. Yan; T-Y. Shi; J. Mitroy (30 November 2011). \u201cThird-order perturbation theory for van der Waals interaction coefficients\u201d. Physical Review A 84 (5):  052502. Bibcode:\u00a02011PhRvA..84e2502T. doi:10.1103\/PhysRevA.84.052502.\u00a0^ a b c Salami, H.; A. J. Ross; P. Crozet; W. Jastrzebski; P. Kowalczyk; R. J. Le Roy (2007). \u201cA full analytic potential energy curve for the a3\u03a3+ state of KLi from a limited vibrational data set\u201d. Journal of Chemical Physics 126 (19):  194313. Bibcode:\u00a02007JChPh.126s4313S. doi:10.1063\/1.2734973. PMID\u00a017523810.\u00a0^ a b Le Roy, R. J.; Y. Huang; C. Jary (2006). \u201cAn accurate analytic potential function for ground-state N2 from a direct-potential-fit analysis of spectroscopic data\u201d. Journal of Chemical Physics 125 (16):  164310. Bibcode:\u00a02006JChPh.125p4310L. doi:10.1063\/1.2354502. PMID\u00a017092076.\u00a0^ a b Le Roy, Robert J.; R. D. E. Henderson (2007). \u201cA new potential function form incorporating extended long-range behaviour: application to ground-state Ca2\u201d. Molecular Physics 105 (5\u20137):  663\u2013677. doi:10.1080\/00268970701241656.\u00a0^ a b c Henderson, R. D. E.; A. Shayesteh; J. Tao; C. Haugen; P. F. Bernath; R. J. Le Roy (4 October 2013). \u201cAccurate Analytic Potential and Born\u2013Oppenheimer Breakdown Functions for MgH and MgD from a Direct-Potential-Fit Data Analysis\u201d. The Journal of Physical Chemistry A 117 (50):  13373\u201387. Bibcode:\u00a02013JPCA..11713373H. doi:10.1021\/jp406680r. PMID\u00a024093511.\u00a0^ a b c d Le Roy, R. J.; C. C. Haugen; J. Tao; H. Li (February 2011). \u201cLong-range damping functions improve the short-range behaviour of ‘MLR’ potential energy functions\u201d. Molecular Physics 109 (3):  435\u2013446. Bibcode:\u00a02011MolPh.109..435L. doi:10.1080\/00268976.2010.527304. http:\/\/scienide2.uwaterloo.ca\/~rleroy\/Pubn\/11MolP_damping.pdf.\u00a0^ a b Shayesteh, A.; R. D. E. Henderson; R. J. Le Roy; P. F. Bernath (2007). \u201cGround State Potential Energy Curve and Dissociation Energy of MgH\u201d. The Journal of Physical Chemistry A 111 (49):  12495\u201312505. Bibcode:\u00a02007JPCA..11112495S. doi:10.1021\/jp075704a. PMID\u00a018020428.\u00a0^ a b Coxon, J. A.; P. G. Hajigeorgiou (2010). \u201cThe ground X 1\u03a3+g electronic state of the cesium dimer: Application of a direct potential fitting procedure\u201d. Journal of Chemical Physics 132 (9):  094105. Bibcode:\u00a02010JChPh.132i4105C. doi:10.1063\/1.3319739. PMID\u00a020210387.\u00a0^ a b c d e f g h Li, Gang; I. E. Gordon; P. G. Hajigeorgiou; J. A. Coxon; L. S. Rothman (2013). \u201cReference spectroscopic data for hydrogen halides, Part II: The line lists\u201d. Journal of Quantitative Spectroscopy & Radiative Transfer 130:  284\u2013295. Bibcode:\u00a02013JQSRT.130..284L. doi:10.1016\/j.jqsrt.2013.07.019.\u00a0^ a b c d e f g h Coxon, John A.; Hajigeorgiou, Photos G. (2015). \u201cImproved direct potential fit analyses for the ground electronic states of the hydrogen halides: HF\/DF\/TF, HCl\/DCl\/TCl, HBr\/DBr\/TBr and HI\/DI\/TI\u201d. Journal of Quantitative Spectroscopy and Radiative Transfer 151:  133\u2013154. Bibcode:\u00a02015JQSRT.151..133C. doi:10.1016\/j.jqsrt.2014.08.028.\u00a0^ Zhai, Yu; Li, Hui; Le Roy, Robert J. (2017). \u201cConstructing high-accuracy intermolecular potential energy surface with multi-dimension Morse\/Long-Range model\u201d. Molecular Physics 116:  843-853. doi:10.1080\/00268976.2018.1429687.\u00a0^ Gunton, Will; Semczuk, Mariusz; Dattani, Nikesh S.; Madison, Kirk W. (2013). \u201cHigh resolution photoassociation spectroscopy of the 6Li2 A(11\u03a3u+) state\u201d. Physical Review A 88 (6):  062510. arXiv:1309.5870. Bibcode:\u00a02013PhRvA..88f2510G. doi:10.1103\/PhysRevA.88.062510.\u00a0^ Xie, F.; L. Li; D. Li; V. B. Sovkov; K. V. Minaev; V. S. Ivanov; A. M. Lyyra; S. Magnier (2011). \u201cJoint analysis of the Cs2 a-state and 1g(33\u03a011g) states\u201d. Journal of Chemical Physics 135 (2):  02403. Bibcode:\u00a02011JChPh.135b4303X. doi:10.1063\/1.3606397. PMID\u00a021766938.\u00a0^ Stein, A.; H. Knockel; E. Tiemann (April 2010). \u201cThe 1S+1S asymptote of Sr2 studied by Fourier-transform spectroscopy\u201d. The European Physical Journal D 57 (2):  171\u2013177. arXiv:1001.2741. Bibcode:\u00a02010EPJD…57..171S. doi:10.1140\/epjd\/e2010-00058-y.\u00a0^ Piticco, Lorena; F. Merkt; A. A. Cholewinski; F. R. W. McCourt; R. J. Le Roy (December 2010). \u201cRovibrational structure and potential energy function of the ground electronic state of ArXe\u201d. Journal of Molecular Spectroscopy 264 (2):  83\u201393. Bibcode:\u00a02010JMoSp.264…83P. doi:10.1016\/j.jms.2010.08.007.\u00a0^ Ivanova, Milena; A. Stein; A. Pashov; A. V. Stolyarov; H. Knockel; E. Tiemann (2011). \u201cThe X2\u03a3+ state of LiCa studied by Fourier-transform spectroscopy\u201d. Journal of Chemical Physics 135 (17):  174303. Bibcode:\u00a02011JChPh.135q4303I. doi:10.1063\/1.3652755. PMID\u00a022070298.\u00a0^ Steinke, M.; H. Knockel; E. Tiemann (27 April 2012). \u201cX-state of LiNa studied by Fourier-transform spectroscopy\u201d. Physical Review A 85 (4):  042720. Bibcode:\u00a02012PhRvA..85d2720S. doi:10.1103\/PhysRevA.85.042720.\u00a0^ Yukiya, T.; N. Nishimiya; Y. Samejima; K. Yamaguchi; M. Suzuki; C. D. Boonec; I. Ozier; R. J. Le Roy (January 2013). \u201cDirect-potential-fit analysis for the system of Br2\u201d. Journal of Molecular Spectroscopy 283:  32\u201343. Bibcode:\u00a02013JMoSp.283…32Y. doi:10.1016\/j.jms.2012.12.006.\u00a0^ Knockel, H.; S. Ruhmann; E. Tiemann (2013). \u201cThe X-state of Mg2 studied by Fourier-transform spectroscopy\u201d. Journal of Chemical Physics 138 (9):  094303. Bibcode:\u00a02013JChPh.138i4303K. doi:10.1063\/1.4792725. PMID\u00a023485290.\u00a0^ Meshkov, Vladimir V.; Stolyarov, Andrey V.; Heaven, Michael C.; Haugen, Carl; Leroy, Robert J. (2014). \u201cDirect-potential-fit analyses yield improved empirical potentials for the ground X1\u03a3g+ state of Be2\u201d. The Journal of Chemical Physics 140 (6):  064315. Bibcode:\u00a02014JChPh.140f4315M. doi:10.1063\/1.4864355. PMID\u00a024527923.\u00a0^ Dattani, Nikesh S. (2015). \u201cBeryllium monohydride (BeH): Where we are now, after 86 years of spectroscopy\u201d. Journal of Molecular Spectroscopy 311:  76\u201383. arXiv:1408.3301. Bibcode:\u00a02015JMoSp.311…76D. doi:10.1016\/j.jms.2014.09.005.\u00a0^ Walji, Sadru-Dean; Sentjens, Katherine M.; Le Roy, Robert J. (2015). \u201cDissociation energies and potential energy functions for the ground X 1\u03a3+ and “avoided-crossing” A 1\u03a3+ states of NaH\u201d. The Journal of Chemical Physics 142 (4):  044305. Bibcode:\u00a02015JChPh.142d4305W. doi:10.1063\/1.4906086. PMID\u00a025637985.\u00a0^ Xiao, Ke-La; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang (2013). \u201cThe effect of inner-shell electrons on the ground and low-lying excited states of KLi: Ab initio study with all-electron basis sets\u201d. Journal of Quantitative Spectroscopy and Radiative Transfer 129:  8\u201314. Bibcode:\u00a02013JQSRT.129….8X. doi:10.1016\/j.jqsrt.2013.05.025.\u00a0^ Xiao, Ke-La; Yang, Chuan-Lu; Wang, Mei-Shan; Ma, Xiao-Guang; Liu, Wen-Wang (2013). \u201cAn ab initio study of the ground and low-lying excited states of KBe with the effect of inner-shell electrons\u201d. The Journal of Chemical Physics 139 (7):  074305. Bibcode:\u00a02013JChPh.139g4305X. doi:10.1063\/1.4818452. PMID\u00a023968090.\u00a0"},{"@context":"http:\/\/schema.org\/","@type":"BreadcrumbList","itemListElement":[{"@type":"ListItem","position":1,"item":{"@id":"https:\/\/wiki.edu.vn\/jp\/wiki2\/#breadcrumbitem","name":"Enzyklop\u00e4die"}},{"@type":"ListItem","position":2,"item":{"@id":"https:\/\/wiki.edu.vn\/jp\/wiki2\/archives\/3536#breadcrumbitem","name":"\u30e2\u30fc\u30b9\u9577\u8ddd\u96e2\u30dd\u30c6\u30f3\u30b7\u30e3\u30eb – Wikipedia"}}]}]