The accuracy of first-order density matrices obtained by electronic structure methods involving the valence electrons only
- 1 January 1977
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 66 (1) , 306-309
- https://doi.org/10.1063/1.433625
Abstract
No abstract availableThis publication has 8 references indexed in Scilit:
- A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electronsThe Journal of Chemical Physics, 1976
- Comparison between model potential and Hartree–Fock results for diamondThe Journal of Chemical Physics, 1975
- The electron distribution in silicon - I. ExperimentProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1973
- Gamma-Ray Compton Profiles of Diamond, Silicon, and GermaniumPhysical Review B, 1972
- On the Nonorthogonality ProblemPublished by Elsevier ,1970
- On the basis of orbital theoriesProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1955
- Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational InteractionPhysical Review B, 1955
- On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and CrystalsThe Journal of Chemical Physics, 1950