Perspective on "Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions" - Wilfried Meyer (1976) J Chem Phys 64 : 2901

Authors
Citation
Hj. Werner, Perspective on "Theory of self-consistent electron pairs. An iterative method for correlated many-electron wavefunctions" - Wilfried Meyer (1976) J Chem Phys 64 : 2901, THEOR CH AC, 103(3-4), 2000, pp. 322-325
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
103
Issue
3-4
Year of publication
2000
Pages
322 - 325
Database
ISI
SICI code
1432-881X(200002)103:3-4<322:PO"OSE>2.0.ZU;2-L
Abstract
The title paper of Wilfried Meyer is a landmark for modern electron correla tion theories and their efficient implementation. It described for the firs t time a matrix-formulated direct configuration interaction method. This ap proach eliminates all coupling coefficients involving external orbitals and the need for a "formula tape". Secondly, a full integral transformation is avoided, a prerequisite for integral-direct implementations. Third, the th eory is formulated in a basis of nonorthogonal virtual orbitals (or atomic orbitals), which forms the basis of current local electron correlation trea tments. Meyer's paper, which was written while I was a diploma student in h is group, has strongly influenced my own work on multireference configurati on interaction, coupled-cluster theory, and local electron correlation meth ods. The current paper reviews the history of the self-consistent electron pairs method and describes its relation to current electron correlation tec hniques.