First-order properties and the Hellmann-Feynman theorem in the case of a limitedCI wave function

Author:

Nerbrant P.-O.,Roos B.,Sadlej A. J.

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference32 articles.

1. Einführung in die Quantenchemie (Franz Deuticke, Vienna, 1937), p. 285.

2. Forces in Molecules

3. The Variation Method in Quantum Chemistry (Academic, New York, 1974).

4. Force Constants and Dipole‐Moment Derivatives of Molecules from Perturbed Hartree–Fock Calculations. I

5. Dipole moments and polarizabilities in excited singlet states and the generalized Hellmann-Fernman theorem

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