Geometrical energy derivative evaluation with MRCI wave functions
- 1 January 1987
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 31 (1) , 33-44
- https://doi.org/10.1002/qua.560310105
Abstract
No abstract availableKeywords
This publication has 4 references indexed in Scilit:
- The Evaluation of the Wave Function Response Contributions to the Geometrical Derivatives of the Electronic EnergyPublished by Springer Nature ,1986
- Geometrical Derivatives of Energy Surfaces and Molecular PropertiesPublished by Springer Nature ,1986
- On the efficient evaluation of analytic energy gradientsChemical Physics Letters, 1985
- On the evaluation of analytic energy derivatives for correlated wave functionsThe Journal of Chemical Physics, 1984