共 50 条
- [22] EXCITED-STATE DENSITY-FUNCTIONAL CALCULATIONS ON THE HELIUM ISOELECTRONIC SEQUENCE PROCEEDINGS OF THE INDIAN ACADEMY OF SCIENCES-CHEMICAL SCIENCES, 1994, 106 (06): : 1321 - 1328
- [23] Analytical expression for the excited-state force from density-functional perturbation theory PHYSICAL REVIEW A, 2012, 86 (06):
- [25] Self-consistent-charge density-functional tight-binding method for simulations of complex materials properties PHYSICAL REVIEW B, 1998, 58 (11): : 7260 - 7268
- [28] Accelerating the density-functional tight-binding method using graphical processing units JOURNAL OF CHEMICAL PHYSICS, 2023, 158 (08):
- [29] Dissipative friction dynamics within the density-functional based tight-binding scheme EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS, 2023, 232 (12): : 1975 - 1983
- [30] Modeling thiolate-protected gold clusters with density-functional tight-binding The European Physical Journal D, 2013, 67