Configuration Interaction Energy Derivatives

Publisher Website

1 January 1986

book chapter
Published by Springer Nature

p. 27-34
https://doi.org/10.1007/978-94-009-4584-5_3

Abstract

No abstract available

Keywords

This publication has 7 references indexed in Scilit:

On the evaluation of analytic energy derivatives for correlated wave functions
The Journal of Chemical Physics, 1984
A second‐quantization approach to the analytical evaluation of response properties for perturbation‐dependent basis sets
International Journal of Quantum Chemistry, 1984
Higher molecular-deformation derivatives of the configuration-interaction energy
Chemical Physics, 1984
First and second anharmonicities of the MCSCF energy
The Journal of Chemical Physics, 1983
Ab initio analytical molecular gradients and Hessians
The Journal of Chemical Physics, 1983
General second-order MCSCF theory for large CI expansions
The Journal of Chemical Physics, 1982
A second order MCSCF method for large CI expansions
The Journal of Chemical Physics, 1981