Direct Variational Determination of the Two-Electron Reduced Density Matrix for Doubly Occupied-Configuration-Interaction Wave Functions: The Influence of Three-Index N-Representability Conditions

Journal of Chemical Physics - United States
doi 10.1063/1.5008811
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Gauging Away the Electron–electron Interaction by the Local Phase of Complex Wave Functions in Two-Electron Systems

Journal of Mathematical Chemistry
Applied MathematicsChemistry
2016English

Structure of Fermionic Density Matrices: CompleteN-Representability Conditions

Physical Review Letters
AstronomyPhysics
2012English

Variational Solution of the Congruently Transformed Hamiltonian for Many-Electron Systems Using a Full-Configuration-Interaction Calculation

Physical Review A
2012English

Variational Determination of the Second-Order Density Matrix for the Isoelectronic Series of Beryllium, Neon, and Silicon

Physical Review A
2009English

Universal Variational Functionals of Electron Densities, First-Order Density Matrices, and Natural Spin-Orbitals and Solution of the V-Representability Problem

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
1979English

Electron Density Determination Under Not Ambient Conditions

Acta Crystallographica Section A Foundations of Crystallography
2004English

Direct Determination of Imaging Parameters From Wave Functions in HRTEM

Microscopy and Microanalysis
Instrumentation
2003English

Computing the Wave-Kernel Matrix Functions

SIAM Journal of Scientific Computing
Computational MathematicsApplied Mathematics
2018English

A Functional of the One-Body-Reduced Density Matrix Derived From the Homogeneous Electron Gas: Performance for Finite Systems

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2009English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy