Electronic energy functionals: Levy-Lieb principle within the ground state path integral quantum Monte Carlo

International Journal of Quantum Chemistry

Volumn 113, Issue 2, 2013, Pages 155-160

  Delle Site, Luigi ^a   Ghiringhelli, Luca M ^b   Ceperley, David M ^c  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b FRITZ HABER INSTITUT DER MAX PLANCK GESELLSCHAFT   (Germany)

^c University of Illinois at Urbana Champaign   (United States)

Author keywords

advanced Monte Carlo; density functional theory; ground state path integral quantum Monte Carlo; kinetic energy functional; Levy Lieb constrained search

Indexed keywords

COMPUTATIONAL PROCEDURES; CONDITIONAL PROBABILITIES; CONDITIONAL PROBABILITY DENSITY; COULOMB ENERGY; ELECTRONIC ENERGIES; ENERGY DENSITY; ENERGY FUNCTIONALS; EXTERNAL POTENTIAL; INTERACTING ELECTRONS; LEVY-LIEB CONSTRAINED SEARCH; MONTE CARLO; ON-THE-FLY; PATH INTEGRAL; QUANTUM MONTE CARLO;

GROUND STATE; KINETICS; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84870618247     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.24321     Document Type: Article

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