The Intricate Case of Tetramethyleneethane: A Full Configuration Interaction Quantum Monte Carlo Benchmark and Multireference Coupled Cluster Studies.

Veis, Libor; Antalík, Andrej; Legeza, Örs; Alavi, Ali; Pittner, Jirí

Veis, Libor; Antalík, Andrej; Legeza, Örs; Alavi, Ali; Pittner, Jirí.

Afiliación

Veis L; J. Heyrovský Institute of Physical Chemistry , Academy of Sciences of the Czech Republic, v.v.i. , Dolejskova 3 , 18223 Prague 8 , Czech Republic.
Antalík A; J. Heyrovský Institute of Physical Chemistry , Academy of Sciences of the Czech Republic, v.v.i. , Dolejskova 3 , 18223 Prague 8 , Czech Republic.
Legeza Ö; Faculty of Mathematics and Physics , Charles University , 11636 Prague , Czech Republic.
Alavi A; Strongly Correlated Systems "Lendület" Research group , Wigner Research Centre for Physics , H-1525 Budapest , Hungary.
Pittner J; Department of Chemistry , University of Cambridge , Cambridge CB2 1EW , United Kingdom.

J Chem Theory Comput ; 14(5): 2439-2445, 2018 May 08.

Article en En | MEDLINE | ID: mdl-29570291

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Chem Theory Comput Año: 2018 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Estados Unidos

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