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Davidson correction

The Davidson correction is an energy correction often applied in calculations using the method of truncated configuration interaction, which is one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry. It was introduced by Ernest R. Davidson.

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Overview

Application

Size-consistency and size-extensivity problem

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Davidson correction

Nodes24
Edges23
Triples21
Avg. degree1.92
Density0.083333
Components1

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Davidson correction

Top relations

related to Application · 7
Davidson correction → Analytical, CI, Davidson, In, The, The Davidson, Therefore
related to Corrections for Multi-reference CISD · 5
Davidson correction → Davidson, MR-CISD, Pople, Similar, These
related to Size-consistency and size-extensivity problem · 5
Davidson correction → CISD, Davidson, However, Therefore, This
is a · 1
Davidson correction → energy correction often applied in calculations using the method of truncated configuration interaction

Important terminology Word statistics

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Important terminology

davidson correction cisd energies energy calculations configuration interaction fock therefore one estimate expansion cisdtq size-consistency size-extensivity corrections multi-reference used truncated

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
Davidson correctionis aenergy correction often applied in calculations using the method of truncated configuration interaction0.90text
dipole momentinstance ofit cannot be used to correct wave-function-dependent quantities0.80text
charge densityinstance ofit cannot be used to correct wave-function-dependent quantities0.80text
vibronic couplingsinstance ofit cannot be used to correct wave-function-dependent quantities0.80text
Davidson correctionrelated to ApplicationThe Davidson0.60section
Davidson correctionrelated to ApplicationThe0.60section
Davidson correctionrelated to ApplicationCI0.60section
Davidson correctionrelated to ApplicationIn0.60section
Davidson correctionrelated to ApplicationTherefore0.60section
Davidson correctionrelated to ApplicationAnalytical0.60section
Davidson correctionrelated to ApplicationDavidson0.60section
Davidson correctionrelated to Corrections for Multi-reference CISDSimilar0.60section

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