Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method

Journal of Physical Chemistry A

Volumn 112, Issue 6, 2008, Pages 1346-1351

  Adamson, Paul E ^a,c   Duan, Xiaofeng F ^a   Burggraf, Larry W ^a   Pak, Michael V ^b   Swalina, Chet ^b   Hammes Schiffer, Sharon ^b  

^a AIR FORCE INSTITUTE OF TECHNOLOGY   (United States)

^b PENNSYLVANIA STATE UNIVERSITY   (United States)

^c AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

NUCLEAR ELECTRONIC ORBITAL; POSITRONIC ELECTRONIC WAVEFUNCTIONS;

BOND LENGTH; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS; MOLECULAR STRUCTURE; WAVE FUNCTIONS;

POSITRONS;

EID: 39849087559     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7098015     Document Type: Article

References (41)