Modern quantum chemistry with [Open]Molcas
Author(s) -
Francesco Aquilante,
Jochen Autschbach,
Alberto Baiardi,
Stefano Battaglia,
Veniamin A. Borin,
Liviu F. Chibotaru,
Irene Conti,
Luca De Vico,
Mickaël G. Delcey,
Ignacio Fdez. Galván,
Nicolas Ferré,
Leon Freitag,
Marco Garavelli,
Xuejun Gong,
Stefan Knecht,
Ernst D. Larsson,
Roland Lindh,
Marcus Lundberg,
PerÅke Malmqvist,
Artur Nenov,
Jesper Norell,
Michael Odelius,
Massimo Olivucci,
Thomas Bondo Pedersen,
Laura PedrazaGonzález,
Quan Manh Phung,
Kristine Pierloot,
Markus Reiher,
Igor Schapiro,
Javier SegarraMartí,
Francesco Segatta,
Luis Seijo,
Saumik Sen,
DumitruClaudiu Sergentu,
Christopher J. Stein,
Liviu Ungur,
Morgane Vacher,
Alessio Valentini,
Valera Veryazov
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0004835
Subject(s) - density matrix renormalization group , ab initio , code (set theory) , density functional theory , wave function , implementation , computer science , electronic structure , quantum chemistry , set (abstract data type) , hartree–fock method , fock matrix , computational chemistry , quantum mechanics , quantum , theoretical physics , physics , computational science , chemistry , molecule , programming language , supramolecular chemistry
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