Full configuration interaction

Known as: Full CI 
Full configuration interaction (or full CI) is a linear variational approach which provides numerically exact solutions (within the infinitely… (More)
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Topic mentions per year

1990-2018
024619902018

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2017
2017
Both the replicated and distributed data parallel full configuration interaction (FCI) implementations are described. The… (More)
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2013
2013
which is a linear combination of n-electron configurations, or determinants, with coefficients equal to c!. The components… (More)
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2011
2011
The simplest iterative complement (SIC) calculations starting from Hartree-Fock and giving full configuration interaction (CI) at… (More)
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2011
2011
This article investigates the errors in supermolecule calculations for the helium dimer. In a full CI calculation, there are two… (More)
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2008
2008
One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving… (More)
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2007
2007
The all-electron full configuration interaction (FCI) vertical excitation energies for some low lying valence and Rydberg excited… (More)
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2005
2005
We describe an efficient parallel and vector algorithm for solving huge eigen-vector problems in quantum chemistry. An… (More)
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2002
2002
Several approximate correlation methods have been assessed for bond breaking reactions in BH, HF, and CH4 by comparison to the… (More)
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2002
2002
We compare several standard polarized double-zeta basis sets for use in full configuration interaction benchmark computations… (More)
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1999
1999
A pseudospectral formulation of the full configuration interaction method is presented in this paper. This represents the first… (More)
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