Can density functional theory make use of experimentally determined ground-state electron densities via the Dirac density matrix for molecules of biological interest?

Physics Letters, Section A: General, Atomic and Solid State Physics

Volumn 360, Issue 6, 2007, Pages 665-668

  March, N H ^a,b,c   Suhai, S ^a  

^a GERMAN CANCER RESEARCH CENTER DKFZ   (Germany)

^b UNIVERSITY OF OXFORD   (United Kingdom)

^c UNIVERSITY OF ANTWERP   (Belgium)

Author keywords

Density matrix differential equation; Diffraction; Kinetic energy density

Indexed keywords

CARRIER CONCENTRATION; DIFFERENTIAL EQUATIONS; DIFFRACTION; ELECTRON DENSITY MEASUREMENT; GROUND STATE; KINETIC ENERGY; KINETICS; MATRIX ALGEBRA; MOLECULES; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; QUANTUM THEORY;

DENSITY MATRIX; DIRAC DENSITY MATRIX; GROUND-STATE DENSITY; GROUND-STATE ELECTRONS; KINETIC ENERGY DENSITY; NONLINEAR DIFFERENTIAL EQUATION; ONE-BODY POTENTIAL; PERTURBATION THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 33751237666     PISSN: 03759601     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physleta.2006.09.001     Document Type: Article

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