Electrical effects on the vibrational tr
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Shi-yi Liu; Clifford E. Dykstra; David J. Malik
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Article
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1986
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Elsevier Science
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English
โ 624 KB
Derivative Hartree-Fock (DHF) theory has been used to study the transition dipole moment of hydrogen fluoride in several hydrogen-bonded complexes and in the presence of applied fields. DHF is an open-ended, analytical means for finding energy derivatives wth respect to any number of parameters, and