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- W1000166683 abstract "采用量子力学从头算方法，分别运用二次组态相互作用QCISD（T）／6—311＋＋G（3df，2pd）方法和电子相关单双耦合簇CCSD（T）／6-311＋＋G＊＊研究了氢化锂（LiH）分子基态的结构与势能函数，计算其光谱数据（ωe。ωeXe、Be、αe、De），结果与实验光谱数据吻合较好。表明LiH分子基态的势能函数可用经修正的Murrell—Sorbie＋c6函数来表示。" @default.
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- W1000166683 date "2007-01-01" @default.
- W1000166683 modified "2023-09-23" @default.
- W1000166683 title "LiH基态分子（X^1∑^＋）的结构与势能函数" @default.
- W1000166683 hasPublicationYear "2007" @default.
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