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… (More)
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2017
2017
Defining accurate and compact trial wavefunctions leading to small statistical and fixed-node errors in quantum Monte Carlo (QMC… (More)
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2013
2013
The potential energies curves have been calculated for the 17 lowest quartet electronic states in the <sup>2s+1</sup>Λ<sup>±</sup… (More)
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2011
2011
Related Articles Confirmed assignments of isomeric dimethylbenzyl radicals generated by corona discharge J. Chem. Phys. 135… (More)
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2009
2009
Article history: Received 27 March 2009 Received in revised form 4 June 2009 Accepted 9 June 2009 Available online 12 June 2009… (More)
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2008
2008
Fluorescent proteins have been widely used as genetically encodable fusion tags for biological imaging. Recently, a new class of… (More)
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2007
2007
The Density Matrix Renormalization Group (DMRG) is an elect ronic structure method that has recently been applied to ab-initio… (More)
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2005
2005
The ground state structure of retinal has been investigated. We found that DFT and CASSCF produce different results for the bond… (More)
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2003
2003
Electromagnetic scattering from a dense medium consists of a large number of dielectric scatterers is of great interest. For… (More)
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2003
2003
The dynamics of the small protein crambin is studied in the crystal environment by means of a 5.1 nanoseconds molecular dynamics… (More)
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2000
2000
We introduce an excited state theory for the optimized orbital coupled cluster doubles ~OO-CCD! and valence optimized orbital… (More)
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