Natural units for nuclear energy density functional theory
نویسندگان
چکیده
منابع مشابه
Density Functional Theory (DFT), Natural Band Orbital and Energy Studies of N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine
In this paper,N-(2-Fluorophenyl)-2,6-dimethyl-1,3-dioxan-4-amine (C12H16FNO2) optimized geometries and frequencies of the stationary point and energies in the ground state using DFT (B3LYP) methods with 6-311Gbasis set. The calculated HOMO and LUMO energies also confirmed that the charge transfer occurred within the molecule. Bond length and bond angles values forC12H16FNO2 were calculated by u...
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ژورنال
عنوان ژورنال: Physical Review C
سال: 2010
ISSN: 0556-2813,1089-490X
DOI: 10.1103/physrevc.82.011304