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Abbreviation: CASSCF
Appearance Frequency: 388 time(s)
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Long Form No. Long Form Research Area Co-occurring Abbreviation PubMed/MEDLINE Info. (Year, Title)
complete active space self-consistent field
(364 times)
Chemistry
(327 times)
DFT (63 times)
MRCI (24 times)
TDDFT (21 times)
1995 Metabolite predictions for para-substituted anisoles based on ab initio complete active space self-consistent field calculations.
complete active space SCF
(15 times)
Chemistry
(14 times)
SCF (4 times)
CC (3 times)
MRCI (3 times)
1997 An ab Initio Study of the NH2+ Absorption Spectrum
CAS self-consistent field
(4 times)
Chemistry
(4 times)
CAS (2 times)
CASCI (2 times)
DMRG (2 times)
2011 The generalized active space concept in multiconfigurational self-consistent field methods.
calculations and ab initio wave function methods
(1 time)
Chemistry
(1 time)
--- 2019 High-Pressure Studies of Cesium Uranyl Chloride.
complete active space multiconfiguration self-consistent field
(1 time)
Biophysics
(1 time)
TDDFT (1 time)
2014 A time-dependent density-functional theory and complete active space self-consistent field method study of vibronic absorption and emission spectra of coumarin.
complete active space SCF method
(1 time)
Chemistry
(1 time)
--- 2019 Are Inorganic Single-Molecule Magnets a Possibility? A Theoretical Insight into Dysprosium Double-Deckers with Inorganic Ring Systems.
complete active space wave functions
(1 time)
Chemistry
(1 time)
AIM (1 time)
ELF (1 time)
2008 Electronic structure of germanium monohydrides Ge(n)H, n = 1-3.
complete-active space self-consistent-field calculations
(1 time)
Chemistry
(1 time)
MCD (1 time)
TDDFT (1 time)
2016 Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity.