Some unexpected relationships between first, second and third derivative electron repulsion integrals for diatomic and triatomic molecules
- 1 January 1983
- journal article
- research article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 64 (1) , 21-26
- https://doi.org/10.1007/bf00554149
Abstract
No abstract availableKeywords
This publication has 4 references indexed in Scilit:
- Rotational invariance in analytic first, second and third energy derivative studies in molecular electronic structure theoryChemical Physics Letters, 1983
- Relationships among derivatives of the integrals in the calculation of the gradient of the electronic energy with respect to the nuclear coordinatesThe Journal of Chemical Physics, 1981
- Molecular symmetry. III. Second derivatives of electronic energy with respect to nuclear coordinatesThe Journal of Chemical Physics, 1981
- One- and two-electron integrals over cartesian gaussian functionsJournal of Computational Physics, 1978