SOLVING THE SCHRODINGER-EQUATION AS A ONE -DIMENSIONAL PROBLEM .4. CORRELATION CONTRIBUTIONS FOR THE 2-ELECTRON SYSTEMS HE AND H-2 APPLYINGTHE ONE-DIMENSIONAL FORMALISM

Citation
M. Pernpointner et H. Preuss, SOLVING THE SCHRODINGER-EQUATION AS A ONE -DIMENSIONAL PROBLEM .4. CORRELATION CONTRIBUTIONS FOR THE 2-ELECTRON SYSTEMS HE AND H-2 APPLYINGTHE ONE-DIMENSIONAL FORMALISM, Zeitschrift fur Naturforschung. A, A journal of physical sciences, 51(10-11), 1996, pp. 1113-1122
Citations number
16
Categorie Soggetti
Chemistry Physical",Physics
ISSN journal
09320784
Volume
51
Issue
10-11
Year of publication
1996
Pages
1113 - 1122
Database
ISI
SICI code
0932-0784(1996)51:10-11<1113:STSAAO>2.0.ZU;2-D
Abstract
After calculating ground and excited states of one-electron systems wi th improved discretization methods in Part III of this work it is show n that also correlation contributions can be yielded by this formalism . The more powerful discretization methods are applied to the two-elec tron systems He and H-2. For multi-electron systems the symmetry prope rties of the wave function become important but in the case of two-ele ctron systems an antisymmetric spin part can be separated and the inte gral kernel containing the spatial part of the wavefunction has theref ore to be symmetric.