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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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Papers overview

Semantic Scholar uses AI to extract papers important to this topic.
Review
2016
Review
2016
The fact that a new text book introducing the essentials of computational chemistry contains more than 500 pages shows… Expand
2016
2016
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
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
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
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
In this article, we propose an efficient technique for classifying amino acid sequences into different superfamilies. The… Expand
Review
2000
Review
2000
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
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
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
We have examined the response of an exact and an MCSCF reference state to a general time‐dependent field. The time development of… Expand