物理化学学报2018，Vol.34Issue(6)：625-630,6.DOI:10.3866/PKU.WHXB201711071
Levy Constrained Search in Fock Space:An Alternative Approach to Noninteger Electron Number
Levy Constrained Search in Fock Space:An Alternative Approach to Noninteger Electron Number
AYERS Paul W 1LEVY Mel2
作者信息
- 1. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, Ontario L8S 4M1, Canada
- 2. Department of Physics, North Carolina A&T State University, Greensboro, NC 27411, USA
- 折叠
摘要
关键词
Density functional theory/Levy constrained search functional/Fock space/Fractional electron number/Excited-state density functional theory/Universal density functional/Zero temperature grand canonical ensemble/ConvexityKey words
Density functional theory/Levy constrained search functional/Fock space/Fractional electron number/Excited-state density functional theory/Universal density functional/Zero temperature grand canonical ensemble/Convexity引用本文复制引用
AYERS Paul W,LEVY Mel..Levy Constrained Search in Fock Space:An Alternative Approach to Noninteger Electron Number[J].物理化学学报,2018,34(6):625-630,6.
