화학공학소재연구정보센터
검색결과 : 10건
No. Article
1 Optimal orbitals from energy fluctuations in correlated wave functions
Filippi C, Fahy S
Journal of Chemical Physics, 112(8), 3523, 2000
2 Correlation energies for some two- and four-electron systems along the adiabatic connection in density functional theory
Colonna F, Savin A
Journal of Chemical Physics, 110(6), 2828, 1999
3 An ab initio linear electron correlation functional
Rassolov VA
Journal of Chemical Physics, 110(8), 3672, 1999
4 Connections between high-density scaling limits of DFT correlation energies and second-order Z(-1) quantum chemistry correlation energy
Ivanov S, Levy M
Journal of Physical Chemistry A, 102(18), 3151, 1998
5 Monte-Carlo Simulation Studies of Diffusion-Coefficients and Mobilities for Rb+-N-2 with Anisotropic Model Potential and Comparison with Experimental Measurements
Li MM, Ong PP
Journal of Chemical Physics, 106(4), 1429, 1997
6 Transverse Diffusion Measurements and Comparisons with Monte-Carlo Simulation and Gram-Charlier Calculations for Cs+ Ions Drifting in He Gas
Li MM, Ong PP, Zhou ZL
Journal of Chemical Physics, 106(23), 9547, 1997
7 Correlation Potentials and Functionals in Hartree-Fock-Kohn-SHAM Theory
Chan GK, Tozer DJ, Handy NC
Journal of Chemical Physics, 107(5), 1536, 1997
8 Assessment of Basis-Set and Functional-Dependencies in Density-Functional Theory - Studies of Atomization and Reaction Energies
Martell JM, Goddard JD, Eriksson LA
Journal of Physical Chemistry A, 101(10), 1927, 1997
9 Reactions of Y+, Zr+, Nb+, and Mo+ with H-2, HD, and D-2
Sievers MR, Chen YM, Elkind JL, Armentrout PB
Journal of Physical Chemistry, 100(1), 54, 1996
10 Reactions of Ru+, Rh+, Pd+, and Ag+ with H-2, HD, and D-2
Chen YM, Elkind JL, Armentrout PB
Journal of Physical Chemistry, 99(26), 10438, 1995