ISSN:
1573-935X
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The force constants of the molecules LiH, BH, and H2O have been calculated by means of the Hellmann-Feynman theorem on the basis of the Hartree-Fock-Roothan wave functions in the one-determinant approximation. The results obtained have been compared with the results previously calculated on the basis of the same functions by means of the virial theorem.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00525491
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