On the use of explicitly correlated functions in variational computations for small molecules
- 5 February 1994
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 49 (4) , 477-494
- https://doi.org/10.1002/qua.560490412
Abstract
The explicitly correlated wave functions used in variational molecular calculations are reviewed. Different types of such functions are considered. The state of art and future perspectives are briefly discussed. © 1994 John Wiley & Sons, Inc.Keywords
This publication has 89 references indexed in Scilit:
- ,, and HD ionization potentials by accurate calibration of several iodine linesPhysical Review A, 1993
- Precise determinations of ionization potentials andEF-state energy levels of, HD, andPhysical Review A, 1992
- Dissociation energy of the hydrogen moleculePhysical Review Letters, 1992
- Configuration interaction method: the past and future perspectivesJournal of Molecular Structure: THEOCHEM, 1991
- Electric and Magnetic Properties for the Ground and Excited States of Molecular HydrogenPublished by Springer Nature ,1988
- Classical barrier height for H+H2→H2+HThe Journal of Chemical Physics, 1984
- Accurate One- and Two-Electron Diatomic Molecular CalculationsPublished by Elsevier ,1980
- Adiabatic Approximation and Its AccuracyPublished by Elsevier ,1970
- The Ground State of the Hydrogen MoleculeThe Journal of Chemical Physics, 1933
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929