화학공학소재연구정보센터
검색결과 : 16건
No. Article
1 Polarizabilities of azabenzenes
Calaminici P, Jug K, Koster AM, Ingamells VE, Papadopoulos MG
Journal of Chemical Physics, 112(14), 6301, 2000
2 Small closed-form CI expansions for electronic g-tensor calculations
Lushington GH
Journal of Physical Chemistry A, 104(13), 2969, 2000
3 The electron-spin magnetic moments (g factors) of O-3(-), O3Li, and O3Na : An ab initio study
Bruna PJ, Grein F
Journal of Chemical Physics, 109(21), 9439, 1998
4 Multireference Configuration-Interaction Calculations of Electronic G-Tensors for NO2, H2O+, and Co+
Lushington GH, Grein F
Journal of Chemical Physics, 106(8), 3292, 1997
5 Linear Scaling Computation of the Fock Matrix
Challacombe M, Schwegler E
Journal of Chemical Physics, 106(13), 5526, 1997
6 A Tensor Approach to 2-Electron Matrix-Elements
Adams TR, Adamson RD, Gill PM
Journal of Chemical Physics, 107(1), 124, 1997
7 A J-Matrix Engine for Density-Functional Theory Calculations
White CA, Headgordon M
Journal of Chemical Physics, 104(7), 2620, 1996
8 Efficient Recursive Computation of Molecular Integrals for Density-Functional Methods
Koster AM
Journal of Chemical Physics, 104(11), 4114, 1996
9 Fast Assembly of the Coulomb Matrix - A Quantum-Chemical Tree Code
Challacombe M, Schwegler E, Almlof J
Journal of Chemical Physics, 104(12), 4685, 1996
10 Spin-Unrestricted Time-Dependent Hartree-Fock Theory of Frequency-Dependent Linear and Nonlinear-Optical Properties
Karna SP
Journal of Chemical Physics, 104(17), 6590, 1996