Second-order many-body perturbation study of ice Ih

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  He, Xiao ^a,b   Sode, Olaseni ^a   Xantheas, Sotiris S ^c   Hirata, So ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

^b EAST CHINA NORMAL UNIVERSITY   (China)

^c PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SET SUPERPOSITION ERRORS; DYNAMICAL PROPERTIES; FORCE CONSTANTS; INELASTIC NEUTRONS; INFRARED AND RAMAN SPECTRA; LOW TEMPERATURES; MANY BODY PERTURBATION THEORY; MANY-BODY PERTURBATION; RAMAN INTENSITIES; SECOND ORDERS; SPECTRAL FEATURE; STRETCHING VIBRATIONS;

DEUTERIUM; ERROR CORRECTION; HYDROGEN BONDS; MOLECULAR CRYSTALS; STRETCHING;

ICE;

EID: 84870533609     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767898     Document Type: Article

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