Coupled nuclear and electronic ground-state motion from variational reduced-density-matrix theory with applications to molecules with floppy or resonant hydrogens

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 79, Issue 1, 2009, Pages

  Kamarchik, Eugene ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; ALDEHYDES; APPROXIMATION THEORY; ATOMS; ELECTRONICS ENGINEERING; ELECTRONS; FIGHTER AIRCRAFT; GROUND STATE; LIGHTING; MOLECULES; NONMETALS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROGRAMMING THEORY; PROTONS; QUANTUM CHEMISTRY; SURFACE PHENOMENA;

BONDED MOLECULES; BORN-OPPENHEIMER APPROXIMATIONS; COULOMBIC POTENTIALS; ELECTRONIC GROUNDS; ELECTRONIC SYSTEMS; ENERGY SURFACES; GROUND-STATE ENERGIES; HYDROGEN MOTIONS; HYDROGEN NUCLEUS; MACROSCOPIC QUANTUM PHENOMENON; MALONALDEHYDE; N-REPRESENTABILITY; NUMBER OF ELECTRONS; PARTICLE SYSTEMS; PROTONATED; QUANTUM-MECHANICAL PARTICLES; RECENT PROGRESS; REDUCED DENSITY MATRIXES; VARIATIONAL OPTIMIZATIONS;

HYDROGEN;

EID: 58849120102     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.79.012502     Document Type: Article

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