共 50 条
- [32] Fast hybrid density-functional computations using plane-wave basis sets ELECTRONIC STRUCTURE, 2019, 1 (01):
- [34] Proper Gaussian basis sets for density functional studies of water dimers and trimers JOURNAL OF PHYSICAL CHEMISTRY B, 2005, 109 (46): : 21471 - 21475
- [36] AUGMENTED GAUSSIAN-ORBITAL BASIS FOR ATOMIC-CLUSTER CALCULATIONS WITHIN THE DENSITY-FUNCTIONAL FORMALISM - APPLICATION TO CU2 PHYSICAL REVIEW B, 1983, 28 (10): : 5536 - 5548
- [37] Modification of nonrelativistic Gaussian basis sets for relativistic calculations JOURNAL OF CHEMICAL PHYSICS, 2001, 115 (20): : 9160 - 9164
- [39] Contracted basis sets for density functional calculations: Segmented versus general contraction JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (07):
- [40] Density-functional, density-functional tight-binding, and wave function calculations on biomolecular systems JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (26): : 5642 - 5647