Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation? - Wikidata - wikimedia - TriplyDB

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

http://www.wikidata.org/entity/Q37671862

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Quantum crystallography.Developments in the structural science of materials Validation of X-ray Wavefunction Refinement.Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

http://www.wikidata.org/entity/Q37671862

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article científic

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article scientifique

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articolo scientifico

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artigo científico

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bilimsel makale

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scientific article published on 10 January 2017

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vedecký článok

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vetenskaplig artikel

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videnskabelig artikel

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vědecký článek

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

@en

Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

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Can X-ray constrained Hartree-Fock wavefunctions retrieve electron correlation?

@en

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Benjamin Meyer

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P2860

Density-functional exchange-energy approximation with correct asymptotic behavior

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Self-Consistent Equations Including Exchange and Correlation Effects

Improved methods for building protein models in electron density maps and the location of errors in these models

Molecular Orbitals Strictly Localized on Small Molecular Fragments from X-ray Diffraction Data.

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On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods

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Wave functions derived from experiment. V. Investigation of electron densities, electrostatic potentials, and electron localization functions for noncentrosymmetric crystals.

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136-146

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scholarly article

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10.1107/S2052252516019217

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Pt 2

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4

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Alessandro Genoni

Leonardo H R Dos Santos

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2017-01-10T00:00:00Z

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28250952

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5330524

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