共 50 条
- [31] Linear and sublinear scaling computation of the electronic g-tensor at the density functional theory level JOURNAL OF CHEMICAL PHYSICS, 2019, 150 (02):
- [32] Application of natural bond orbital analysis to linear-scaling density functional theory calculations ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
- [33] Including dispersion interactions in the ONETEP program for linear-scaling density functional theory calculations PROCEEDINGS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES, 2009, 465 (2103): : 669 - 683
- [35] Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling Physics and Chemistry of Minerals, 2004, 31 : 12 - 21
- [36] Biomolecular interactions from linear-scaling density functional theory calculations with thousands of atoms ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
- [37] ONETEP: linear-scaling density-functional theory with local orbitals and plane waves PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2006, 243 (11): : 2489 - 2499
- [40] Linear-scaling indirect-diagonalization methods in density functional theory calculations. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U436 - U436