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Multi-configurational self-consistent field

Known as: RASSCF, Multi-configurational Hartree-Fock, MCSCF 
Multi-configurational self-consistent field (MCSCF) is a method in quantum chemistry used to generate qualitatively correct reference states of… Expand
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Related topics

Related topics

20 relations
Ab initio quantum chemistry methodsCOLUMBUSCharlotte Froese FischerComplete active space perturbation theory
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Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Review
2016
Review
2016
Essentials Of Computational Chemistry Theories And Models
The fact that a new text book introducing the essentials of computational chemistry contains more than 500 pages shows… Expand
2016
2016
Time-dependent restricted-active-space self-consistent-field theory for bosonic many-body systems
We describe the time-dependent restricted-active-space self-consistent-field (TD-RASSCF) method for a system of interacting… Expand
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2015
2015
Stochastic multi-configurational self-consistent field theory
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference… Expand
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Highly Cited
2014
Highly Cited
2014
Modifying the properties of 4f single-ion magnets by peripheral ligand functionalisation
We study the ligand-field splittings and magnetic properties of three ErIII single-ion magnets which differ in the peripheral… Expand
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Highly Cited
2005
Highly Cited
2005
Chapter 41 – Advances in electronic structure theory: GAMESS a decade later
Publisher Summary This chapter focuses on the new developments in electronic structure theory during the past decade. These… Expand
Highly Cited
2005
Highly Cited
2005
An efficient technique for superfamily classification of amino acid sequences: feature extraction, fuzzy clustering and prototype selection
In this article, we propose an efficient technique for classifying amino acid sequences into different superfamilies. The… Expand
Review
2000
Review
2000
Property variation with shape in magnetic nanoelements
Nanometre scale magnetic particles (`nanoelements' or `nanomagnets') form a rich and rapidly growing new area in condensed matter… Expand
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Highly Cited
1993
Highly Cited
1993
Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions
A quasidegenerate perturbation theory based on multiconfigurational self‐consistent‐field (MCSCF) reference functions is derived… Expand
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Highly Cited
1993
Highly Cited
1993
Towards an accurate molecular orbital theory for excited states: Ethene, butadiene, and hexatriene
A newly proposed quantum chemical approach for ab initio calculations of electronic spectra of molecular systems is applied to… Expand
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Highly Cited
1985
Highly Cited
1985
Linear and nonlinear response functions for an exact state and for an MCSCF state
We have examined the response of an exact and an MCSCF reference state to a general time‐dependent field. The time development of… Expand
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