Projected Hartree Product Wavefunctions
- 15 February 1968
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 48 (4) , 1752-1759
- https://doi.org/10.1063/1.1668907
Abstract
A method for performing a restricted configuration interaction calculation on atoms or molecules based on the use of Young operators from the symmetric groups is discussed and its relation to some other types of calculations is pointed out. The method in its most general form can be said to be an extension of the independent particle approach which represents the wavefunction in terms of the n best possible one-particle orbitals for the n-particle system. Illustrations are given for the hydrogen molecule, the helium atom, and the allyl radical.Keywords
This publication has 12 references indexed in Scilit:
- Improved Quantum Theory of Many-Electron Systems. I. Construction of Eigenfunctions ofWhich Satisfy Pauli's PrinciplePhysical Review B, 1967
- Group Algebra, Convolution Algebra, and Applications to Quantum MechanicsReviews of Modern Physics, 1967
- Spin-Free Quantum Chemistry. IV. The pn Electron Configuration1The Journal of Physical Chemistry, 1966
- Spin-Free Quantum Chemistry.1a III. Bond Functions and the Pauling RulesThe Journal of Physical Chemistry, 1966
- Spin-Free Quantum Chemistry. II. Three-Electron Systems1aThe Journal of Physical Chemistry, 1964
- Spin-Free Quantum ChemistryPublished by Elsevier ,1964
- Quantum Theory of Many-Particle Systems. III. Extension of the Hartree-Fock Scheme to Include Degenerate Systems and Correlation EffectsPhysical Review B, 1955
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- Neue Berechnung der Energie des Heliums im Grundzustande, sowie des tiefsten Terms von Ortho-HeliumThe European Physical Journal A, 1929
- The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and MethodsMathematical Proceedings of the Cambridge Philosophical Society, 1928