共 50 条
- [21] Density-functional calculations of radicals and diradicals CHEMICAL APPLICATIONS OF DENSITY-FUNCTIONAL THEORY, 1996, 629 : 402 - 422
- [22] DENSITY-FUNCTIONAL CALCULATIONS FOR CERIUM METAL PHYSICAL REVIEW B, 1995, 51 (07): : 4618 - 4621
- [23] EMBEDDED DENSITY-FUNCTIONAL APPROACH FOR CALCULATIONS OF ADSORPTION ON METALS AND IONIC-CRYSTALS ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1995, 209 : 56 - PHYS
- [25] Accurate polymer polarizabilities with exact exchange density-functional theory JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (21): : 11001 - 11004
- [26] Static dipole polarizabilities through density functional methods JOURNAL OF PHYSICAL CHEMISTRY A, 1997, 101 (23): : 4231 - 4235
- [28] Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (26): : 5642 - 5647
- [29] Advances in Density-Functional Calculations for Materials Modeling ANNUAL REVIEW OF MATERIALS RESEARCH, VOL 49, 2019, 49 : 1 - 30
- [30] Approximate occupation functions for density-functional calculations PHYSICAL REVIEW B, 1997, 56 (20): : 12805 - 12810