Computation of Antisymmetric Wavefunctions for Molecules
- 15 August 1969
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 51 (4) , 1533-1535
- https://doi.org/10.1063/1.1672206
Abstract
New methods for reduction of group representations are discussed, and their application to the construction of antisymmetric molecular wavefunctions outlined. The methods are being programmed in pl / 1 for IBM S / 360 because of the combination of list processing and linear algebra involved. It is expected that it will take about 2 man-years to produce a complete program. The methods are suitable for implementation on a large parallel computer.Keywords
This publication has 9 references indexed in Scilit:
- New Methods for Reduction of Group Representations. IIJournal of Mathematical Physics, 1968
- New Methods for Reduction of Group Representations Using an Extension of Schur's LemmaJournal of Mathematical Physics, 1964
- A calculation of the ground-state splitting for Mn 2+ ions in a cubic fieldProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1961
- On the construction of irreducible representations of the symmetric groupMathematical Proceedings of the Cambridge Philosophical Society, 1961
- Group theory in solid state physicsReports on Progress in Physics, 1960
- On the Absorption Spectra of Complex Ions. IJournal of the Physics Society Japan, 1954
- Theory of Complex Spectra. IVPhysical Review B, 1949
- Theory of Complex Spectra. IIIPhysical Review B, 1943
- Theory of Complex Spectra. IIPhysical Review B, 1942