Open AccessReconciling Local Coupled Cluster with Multireference Approaches for Transition Metal Spin-State Energetics
Author(s) -
Μαρία Δρόσου,
Christiana A. Mitsopoulou,
Dimitrios A. Pantazis
Publication year - 2022
Publication title -
journal of chemical theory and computation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 2.001
H-Index - 185
eISSN - 1549-9626
pISSN - 1549-9618
DOI - 10.1021/acs.jctc.2c00265
Subject(s) - coupled cluster , perturbation theory (quantum mechanics) , extrapolation , energetics , physics , spin (aerodynamics) , cluster (spacecraft) , statistical physics , electronic correlation , atomic physics , chemistry , quantum mechanics , computer science , molecule , mathematics , thermodynamics , mathematical analysis , programming language