Open AccessImproved evaluation of spin-polarization energy contributions using broken-symmetry calculations
Author(s) -
Grégoire David,
Nicolas Ferré,
Georges Trinquier,
JeanPaul Malrieu
Publication year - 2020
Publication title -
the journal of chemical physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.071
H-Index - 357
eISSN - 1089-7690
pISSN - 0021-9606
DOI - 10.1063/5.0011734
Subject(s) - spin polarization , singlet state , open shell , diradical , polarization (electrochemistry) , excited state , spin (aerodynamics) , electron , chemistry , atomic physics , physics , molecular physics , quantum mechanics , thermodynamics
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom