A 1995 conversation with John A. Pople (1925 − 2004)

The Møller-Plesset theory, which originated in the 1930s is being widely used to include electron correlation in ab initio molecular orbital calculations. The essence of the density functional theory is to try to use the density distribution of electrons, the same thing which you measure in X-ray cr...

Ausführliche Beschreibung

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Structural chemistry Jg. 36; H. 5; S. 1701 - 1705
1. Verfasser:	Hargittai, Istvan
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	New York Springer US 01.10.2025 Springer Nature B.V
Schlagworte:	Approximation Chemistry Chemistry and Materials Science Computational chemistry Computer Applications in Chemistry Crystallography Density distribution Density functional theory Editorial Electron density Electronic structure Electrons Kohn, Walter Molecular orbitals Nobel prizes Physical Chemistry Pople, John A Theoretical and Computational Chemistry
ISSN:	1040-0400, 1572-9001
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Schreiben Sie den ersten Kommentar!