共 50 条
- [31] Density Functional Theory of Electronic Structure: A Short Course for Mineralogists and Geophysicists THEORETICAL AND COMPUTATIONAL METHODS IN MINERAL PHYSICS: GEOPHYSICAL APPLICATIONS, 2010, 71 : 1 - 18
- [32] The electronic structure of liquid water within density-functional theory JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (01):
- [34] Electronic and geometric structure of AuxCuy clusters studied by density functional theory INTERNATIONAL JOURNAL OF MODERN PHYSICS C, 2014, 25 (06):
- [36] Electronic structure of copper phthalocyanine: A comparative density functional theory study JOURNAL OF CHEMICAL PHYSICS, 2008, 128 (16):
- [37] Finite Element Method in Density Functional Theory Electronic Structure Calculations ADVANCES IN THE THEORY OF QUANTUM SYSTEMS IN CHEMISTRY AND PHYSICS, 2012, 22 : 199 - 217
- [38] Density functional theory investigation of the electronic structure and spin density distribution in peroxyl radicals JOURNAL OF PHYSICAL CHEMISTRY A, 1999, 103 (11): : 1619 - 1626
- [39] Multi-level computer Simulations of condensed matter based on subsystem formulation of density functional theory ADVANCES IN COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2005, VOLS 4 A & 4 B, 2005, 4A-4B : 748 - 750
- [40] CLUSTER METHODS TO STUDY THE ELECTRONIC-STRUCTURE OF CONDENSED MATTER HYPERFINE INTERACTIONS, 1979, 6 (1-4): : 15 - 23