Investigation of electron–hole correlation using explicitly correlated configuration interaction method
JM Elward, J Hoffman, A Chakraborty - Chemical Physics Letters, 2012 - Elsevier
The explicitly correlated configuration interaction (XCCI) method is presented as a general
technique for accurate description of electron–hole interaction. The XCCI method is a
variational method where an R12-explicitly correlated wavefunction that depends on the
electron–hole separation is used as the zeroth order reference wavefunction for performing
the CI expansion. This is the main feature that differentiates the XCCI from the conventional
CI method. Benchmark calculations on parabolic quantum dot using XCCI, FCI, and R12-FCI …
technique for accurate description of electron–hole interaction. The XCCI method is a
variational method where an R12-explicitly correlated wavefunction that depends on the
electron–hole separation is used as the zeroth order reference wavefunction for performing
the CI expansion. This is the main feature that differentiates the XCCI from the conventional
CI method. Benchmark calculations on parabolic quantum dot using XCCI, FCI, and R12-FCI …
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