Ground state of the Fe(ii)-porphyrin model system corresponds to quintet: a DFT and DMRG-based tailored CC study.

Antalík, Andrej; Nachtigallová, Dana; Lo, Rabindranath; Matousek, Mikulás; Lang, Jakub; Legeza, Örs; Pittner, Jirí; Hobza, Pavel; Veis, Libor

Antalík, Andrej; Nachtigallová, Dana; Lo, Rabindranath; Matousek, Mikulás; Lang, Jakub; Legeza, Örs; Pittner, Jirí; Hobza, Pavel; Veis, Libor.

Afiliación

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. libor.veis@jh-inst.cas.cz and Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 12116, Prague 2, Czech Republic.
Nachtigallová D; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo nám. 2, 16610 Prague 6, Czech Republic. dana.nachtigallova@uochb.cas.cz pavel.hobza@uochb.cas.cz and Regional Centre of Advanced Technologies and Materials, Palacký University, 77146 Olomou
Lo R; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo nám. 2, 16610 Prague 6, Czech Republic. dana.nachtigallova@uochb.cas.cz pavel.hobza@uochb.cas.cz and Regional Centre of Advanced Technologies and Materials, Palacký University, 77146 Olomou
Matousek M; J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejskova 3, 18223 Prague 8, Czech Republic. libor.veis@jh-inst.cas.cz and Faculty of Mathematics and Physics, Charles University, Ke Karlovu 3, 12116, Prague 2, Czech Republic.
Lang J; J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejskova 3, 18223 Prague 8, Czech Republic. libor.veis@jh-inst.cas.cz.
Legeza Ö; Strongly Correlated Systems "Lendület" Research group, Wigner Research Centre for Physics, H-1525, Budapest, Hungary.
Pittner J; J. Heyrovský Institute of Physical Chemistry, Academy of Sciences of the Czech Republic, v.v.i., Dolejskova 3, 18223 Prague 8, Czech Republic. libor.veis@jh-inst.cas.cz.
Hobza P; Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, v.v.i., Flemingovo nám. 2, 16610 Prague 6, Czech Republic. dana.nachtigallova@uochb.cas.cz pavel.hobza@uochb.cas.cz and Regional Centre of Advanced Technologies and Materials, Palacký University, 77146 Olomou
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. libor.veis@jh-inst.cas.cz.

Phys Chem Chem Phys ; 22(30): 17033-17037, 2020 Aug 05.

Article en En | MEDLINE | ID: mdl-32716452

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Asunto de la revista: BIOFISICA / QUIMICA Año: 2020 Tipo del documento: Article País de afiliación: República Checa Pais de publicación: Reino Unido

Texto completo

Añadir a Mi BVS

Imprimir

XML

PubMed Links

Buscar en Google