The dipole moment of LiH(X1ฮฃ+): Spin-cou
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David L. Cooper; Joseph Gerratt; Mario Raimondi
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Article
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1985
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Elsevier Science
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English
โ 329 KB
The spin-caupled VB Theory is applied to the dipole moment function p(R) 01 LiH(X'Z\*) A series of calculations is reponed (1.7%. 127 and 188 spatial contigurauons) wluch demonslrates tie rapid convergence of thus properly onto thal given by aaurate MO CI wavefuncrions. The binding is essentially du