Structure of the aqueous electron: Assessment of one-electron pseudopotential models in comparison to experimental data and time-dependent density functional theory

Journal of Physical Chemistry A

Volumn 115, Issue 50, 2011, Pages 14470-14483

  Herbert, John M ^a   Jacobson, Leif D ^a,b  

^a OHIO STATE UNIVERSITY   (United States)

^b YALE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMISTIC SIMULATIONS; EXPERIMENTAL DATA; GROUND STATE WAVEFUNCTIONS; NEW MODEL; PSEUDOPOTENTIAL MODELS; RADIUS OF GYRATION; SEMI-QUANTITATIVE; SOLVENT CAVITY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VERTICAL ELECTRONS;

BINDING ENERGY; COMPUTER SIMULATION; ELECTROMAGNETIC WAVE ABSORPTION; ELECTRONS; EXPERIMENTS; GROUND STATE; SOLVENTS; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 83055190874     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp206391d     Document Type: Article

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