VARIATIONAL STICKING-FRACTION CALCULATIONS FOR THE GROUND-STATE OF THE TD-MU MOLECULAR ION

被引：51

作者：

HAYWOOD, SE

MONKHORST, HJ

SZALEWICZ, K

机构：

[1] UNIV DELAWARE,DEPT PHYS,NEWARK,DE 19716

[2] UNIV FLORIDA,DEPT CHEM,GAINESVILLE,FL 32611

来源：

PHYSICAL REVIEW A | 1988年 / 37卷 / 09期

关键词：

D O I：

10.1103/PhysRevA.37.3393

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

引用

页码：3393 / 3398

页数：6

共 50 条

[41] THE ECLIPSED NON-ALTERNATING GROUND-STATE CONFORMATION FOR 1,1,2-TRI-TRANS-BUTYLETHANE - MOLECULAR MECHANICS CALCULATIONS AND NMR-SPECTRUM
ANDERSON, JE
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1991, (03): : 299 - 302
[42] Accurate calculations of the ground state and low-lying excited states of the (RbBa)+ molecular ion: a proposed system for ultracold reactive collisions
Knecht, S.
Sorensen, L. K.
Jensen, H. J. Aa
Fleig, T.
Marian, C. M.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 2010, 43 (05)
[43] ON THE ACCURACY OF THE ALGEBRAIC-APPROXIMATION IN MOLECULAR ELECTRONIC-STRUCTURE CALCULATIONS .3. COMPARISON OF MATRIX HARTREE-FOCK AND NUMERICAL HARTREE-FOCK CALCULATIONS FOR THE GROUND-STATE OF THE NITROGEN MOLECULE
MONCRIEFF, D
WILSON, S
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 1993, 26 (10) : 1605 - 1616
[44] ABINITIO CALCULATIONS OF THE GROUND-STATE POTENTIAL-ENERGY SURFACE FOR THE C-F BOND DECOMPOSITION IN NORMAL-FLUOROPROPANE WITHIN THE METHOD FOR APPROXIMATION OF THE FROZEN MOLECULAR FRAGMENT
ROSZAK, S
KAUFMAN, JJ
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1992, 42 (04) : 917 - 928
[45] Full-quantum calculations of the pressure broadening D1 and D2 lines of Mg+ magnesium ion in a gas of ground-state He helium atoms
Kechradi, Lamisse
Yandjah, Louardi
Alioua, Kamel
Bouazza, Mohamed Tahar
EUROPEAN PHYSICAL JOURNAL D, 2024, 78 (07):
[46] HIGH-RESOLUTION FOURIER-TRANSFORM STUDIES OF MOLECULAR ION EMISSION - GROUND-STATE DEGENERACY SPLITTING IN THE 1,2,3-TRIFLUOROBENZENE RADICAL CATION
SUH, MH
LEE, SK
REHFUSS, BD
MILLER, TA
BONDYBEY, VE
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (07): : 2727 - 2732
[47] THEORETICAL EVIDENCE FOR A PARAMAGNETIC GROUND-STATE OF THE CLUSTER ION [(ETA-5-C5ME5)3RE3(MU-2-O)6]2+
HOFMANN, P
ROSCH, N
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1986, (11) : 843 - 844
[48] A NOVEL HETEROTETRANUCLEAR [CR-2(III)(MU-3-O)2FE-2(III)]8+ CORE AND GROUND-STATE VARIABILITY DUE TO MOLECULAR SPIN FRUSTRATION
CHAUDHURI, P
WINTER, M
FLEISCHHAUER, P
HAASE, W
FLORKE, U
HAUPT, HJ
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1993, (06) : 566 - 568
[49] SLATER-HARTREE-FOCK FUNCTIONS AS BASIS SET FOR ONE ELECTRON PERTURBATION MOLECULAR CALCULATIONS .2. ADVANTAGE OF FORMALISM OF DIPOLE DIPOLE-SPEED LENGTH FOR GROUND-STATE POLARIZABILITY
TRSIC, M
LAIDLAW, WG
ZIEGLER, T
BULLETIN DES SOCIETES CHIMIQUES BELGES, 1976, 85 (12): : 1027 - 1030
[50] ECLIPSED GROUND-STATE CONFORMATIONS OF THE TERT-BUTYL-X BOND IN N-TERT-BUTOXY-2,2,6,6-TETRAMETHYLPIPERIDINE AND N-NEOPENTYL-2,2,6,6-TETRAMETHYLPIPERIDINE - X-RAY CRYSTAL-STRUCTURE DETERMINATIONS AND MOLECULAR MECHANICS CALCULATIONS
ANDERSON, JE
TOCHER, DA
CORRIE, JET
LUNAZZI, L
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1993, 115 (09) : 3494 - 3498

← 1 2 3 4 5 →