ED5-EC
收藏NIAID Data Ecosystem2026-05-10 收录
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6 energy components (DF-RKS Final Energy, Nuclear Repulsion Energy, One-Electron Energy, Two-Electron Energy, DFT Exchange-Correlation Energy, Total Energy)
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2025-09-30

6 energy components (DF-RKS Final Energy, Nuclear Repulsion Energy, One-Electron Energy, Two-Electron Energy, DFT Exchange-Correlation Energy, Total Energy)