共 50 条
- [21] SPIN-EXTENDED WAVE FUNCTIONS FOR FIRST-ROW ATOMSPHYSICAL REVIEW, 1968, 176 (01): : 19 - &KALDOR, U
- [22] OPTIMIZED GAUSSIAN BASIS SCF WAVEFUNCTIONS FOR FIRST-ROW ATOMSJOURNAL OF CHEMICAL PHYSICS, 1969, 51 (01): : 398 - &WHITMAN, DRHORNBACK, CJ
- [23] Coupling Quantum Monte Carlo for electrons with Monte Carlo for IonsABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240Ceperley, David
- [24] ABSORPTION SPECTRA OF FIRST-ROW TRANSITION METAL IONS IN GLASSESJOURNAL OF THE AMERICAN CERAMIC SOCIETY, 1970, 53 (08) : 448 - &WILLIAMS, DJ
- [25] Accurate atomization energies and dipole moments from Ornstein-Uhlenbeck diffusion quantum Monte Carlo calculations for small first-row polyatomic moleculesJOURNAL OF CHEMICAL PHYSICS, 2003, 118 (21): : 9528 - 9532Lu, SI
- [26] PERTURBATION CALCULATIONS ON HYDROGEN BONDS BETWEEN SOME FIRST-ROW ATOMSJOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (22) : 5644 - &VANDUIJN.JGVANDUIJN.FB
- [27] Applications of newly developed spdsMCPs for first-row transition metal atomsCOMPUTATIONAL CHEMISTRY AND APPLICATIONS IN ELECTRONICS, 2007, : 14 - +Miyoshi, E.Osanai, Y.Mon, M. S.Mori, H.Nakashima, H.Noro, T.
- [28] Theoretical study of the bonding of the first-row transition-metal positive ions to ethyleneJournal of Physical Chemistry, 1992, 96 (05):Sodupe, M.Bauschlicher, Charles W.Langhoff, Stephen R.Partridge, Harry
- [29] SIMPLE BASIS SET FOR MOLECULAR WAVEFUNCTIONS CONTAINING FIRST-ROW AND SECOND-ROW ATOMSJOURNAL OF CHEMICAL PHYSICS, 1970, 53 (01): : 451 - &HUZINAGA, SARNAU, C
- [30] Quantum Monte Carlo for atoms, molecules and solidsCHEMICAL PHYSICS LETTERS, 2009, 478 (1-3) : 1 - 10Lester, William A., Jr.Mitas, LubosHammond, Brian