Accuracy and limitations of the pseudopotential method
- 1 March 1977
- journal article
- Published by Springer Nature in Theoretical Chemistry Accounts
- Vol. 44 (1) , 61-76
- https://doi.org/10.1007/bf00548029
Abstract
No abstract availableKeywords
This publication has 37 references indexed in Scilit:
- PNO–CI and CEPA studies of electron correlation effects. III. Spectroscopic constants and dipole moment functions for the ground states of the first-row and second-row diatomic hydridesThe Journal of Chemical Physics, 1975
- On the use of model potentials with floating type of wavefunctionsChemical Physics Letters, 1975
- Valence electron studies with Gaussian-based model potentials and Gaussian basis functions. IV. Application to molecular systems containing first row atomsThe Journal of Chemical Physics, 1975
- Accuracy and limitations of the pseudopotential methodTheoretical Chemistry Accounts, 1974
- Pseudopotential studies of the water and hydrogen fluoride moleculesChemical Physics Letters, 1973
- Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive IonThe Journal of Chemical Physics, 1972
- Studies of valence and core electron binding energies by a valence–electron molecular orbital theory based on model potentialsFaraday Discussions of the Chemical Society, 1972
- Das Kombinierte NäherungsverfahrenActa Physica Academiae Scientiarum Hungaricae, 1969
- Das Kombinierte NäherungsverfahrenTheoretical Chemistry Accounts, 1968
- Electronic Structure of Diatomic Molecules. III. A. Hartree—Fock Wavefunctions and Energy Quantities for N2(X1Σg+) and N2+(X2Σg+, A2Πu, B2Σu+) Molecular IonsThe Journal of Chemical Physics, 1966