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Analysis of the errors in explicitly correlated electronic structure theory

Author
MAY, Andrew J1 ; VALEEV, Edward2 3 ; POLLY, Robert4 ; MANBY, Frederick R1
[1] School of Chemistry, University of Bristol, Cantocks Close, Bristol BS8 1TS, United Kingdom
[2] School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, GA, 30332-0400, United States
[3] Oak Ridge National Laboratory, Oak Ridge, TN, 37830-8050, United States
[4] Institut für Nukleare Entsorgung, Forschimgszentrum Karlsruhe, Postfach 3640, 76021 Karlsruhe, Germany
Source

PCCP. Physical chemistry chemical physics (Print). 2005, Vol 7, Num 14, pp 2710-2713, 4 p ; ref : 43 ref

ISSN
1463-9076
Scientific domain
Biochemistry, molecular biology, biophysics; General chemistry, physical chemistry; Atomic molecular physics
Publisher
Royal Society of Chemistry, Cambridge
Publication country
United Kingdom
Document type
Article
Language
English
Keyword (fr)
Calcul erreur Chimie quantique Corrélation Partition Moller Plesset Structure électronique Théorie
Keyword (en)
Error analysis Quantum chemistry Correlation Moller Plesset partition Electronic structure Theory
Keyword (es)
Cálculo error Química cuántica Correlación Partición Moller Plesset Estructura electrónica Teoría
Classification
Pascal
001 Exact sciences and technology / 001C Chemistry / 001C01 General and physical chemistry

Discipline
General chemistry and physical chemistry
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
16981438

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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