共 50 条
- [31] 1ST-PRINCIPLES LOCAL-ORBITAL DENSITY-FUNCTIONAL STUDY OF AL CLUSTERS PHYSICAL REVIEW B, 1993, 47 (03): : 1567 - 1576
- [32] Density-Functional Analysis on Vacancy Orbital and its Elastic Response of Silicon RELIABILITY AND MATERIALS ISSUES OF SEMICONDUCTOR OPTICAL AND ELECTRICAL DEVICES AND MATERIALS, 2010, 1195
- [34] DYNAMIC ORBITAL FORCES AND MOLECULAR-GEOMETRY IN THE DENSITY-FUNCTIONAL FORMALISM PHYSICAL REVIEW B, 1987, 35 (14): : 7713 - 7716
- [35] Gradient search method for orbital-dependent density-functional calculations PHYSICAL REVIEW B, 2000, 62 (23): : 15521 - 15526
- [38] Low thermal expansion of layered electrides predicted by density-functional theory JOURNAL OF CHEMICAL PHYSICS, 2023, 159 (17):
- [39] A study of orientational ordering in a fluid of dipolar Gay-Berne molecules using density-functional theory JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (20): : 9107 - 9119