A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz

Proceedings of the National Academy of Sciences of the United States of America

Volumn 108, Issue 50, 2011, Pages 19896-19900

  Zhang, Igor Ying ^a,b   Xu, Xin ^a,b   Jung, Yousung ^c   Goddard III, William A ^c,d  

^a FUDAN UNIVERSITY   (China)

^b XIAMEN UNIVERSITY   (China)

^c Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^d CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

ACM; DHDF; GGA; LDA; MAD

Indexed keywords

ACCURACY; ADIABATICITY; ARTICLE; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL PROCEDURES; DENSITY; DISSOCIATION; ELECTRON; ENERGY; OPPOSITE SPIN ANSATZ; PRIORITY JOURNAL;

EID: 84055200893     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1115123108     Document Type: Article

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