Configuration interaction in orbital theories
- 21 June 1955
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 230 (1182) , 312-321
- https://doi.org/10.1098/rspa.1955.0134
Abstract
A systematic method is developed for estimating or calculating corrections for configuration interaction in atomic, molecular and nuclear wave-function calculations. Solutions of the Hartree-Fock equations for a single Slater determinant or approximate Hartree-Fock solutions obtained by Roothaan's iterative procedure have special properties which are used to simplify the matrix of the many-particle Hamiltonian. A restricted self-consistent field method is proposed for treating states of low symmetry. This method avoids the off-diagonal Lagrange multipliers encountered in previous methods and is adapted to configuration interaction calculations.Keywords
This publication has 2 references indexed in Scilit:
- The calculation of atomic structuresReports on Progress in Physics, 1947
- N herungsmethode zur L sung des quantenmechanischen Mehrk rperproblemsThe European Physical Journal A, 1930