Open AccessOn the geometric dependence of the molecular dipole polarizability in water: A benchmark study of higher-order electron correlation, basis set incompleteness error, core electron effects, and zero-point vibrational contributions
Author(s) -
Ka Un Lao,
Junteng Jia,
Rahul Maitra,
Robert A. DiStasio
Publication year - 2018
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 - 10.1063/1.5051458
Subject(s) - polarizability , coupled cluster , basis set , dipole , physics , perturbation theory (quantum mechanics) , ab initio , electronic correlation , wave function , electron , density functional theory , quantum mechanics , chemistry , molecular physics , molecule
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