-
1
-
-
0007131098
-
Open-shell orthogonal molecular orbital theory
-
Harris F.E. Open-shell orthogonal molecular orbital theory. J. Chem. Phys. 46(7):1967;2769-2776.
-
(1967)
J. Chem. Phys.
, vol.46
, Issue.7
, pp. 2769-2776
-
-
Harris, F.E.1
-
3
-
-
0039449877
-
Monte Carlo configuration interaction
-
Greer J.C. Monte Carlo configuration interaction. J. Comp. Phys. 146:1998;181-202.
-
(1998)
J. Comp. Phys.
, vol.146
, pp. 181-202
-
-
Greer, J.C.1
-
4
-
-
0034274828
-
A Monte Carlo configuration generation computer program for the calculation of electronic states of atoms, molecules and quantum dots
-
Tong L., Nolan M., Cheng T., Greer J.C. A Monte Carlo configuration generation computer program for the calculation of electronic states of atoms, molecules and quantum dots. Comp. Phys. Comm. 131:2000;142-163.
-
(2000)
Comp. Phys. Comm.
, vol.131
, pp. 142-163
-
-
Tong, L.1
Nolan, M.2
Cheng, T.3
Greer, J.C.4
-
5
-
-
36149012221
-
Quantum theory of many-particle systems. III. Extension of the Hartree-Fock scheme to include degenerate systems and correlation effects
-
Löwdin P.-O. Quantum theory of many-particle systems. III. Extension of the Hartree-Fock scheme to include degenerate systems and correlation effects. Phys. Rev. 97:1955;1509-1520.
-
(1955)
Phys. Rev.
, vol.97
, pp. 1509-1520
-
-
Löwdin, P.-O.1
-
6
-
-
24544432103
-
Quantum theory of many-particle systems. I. Physical interpretation by means of density matrices, natural spin-orbitals, and convergence problems in the method of configurational interaction
-
Löwdin P.-O. Quantum theory of many-particle systems. I. Physical interpretation by means of density matrices, natural spin-orbitals, and convergence problems in the method of configurational interaction. Phys. Rev. 97:1955;1474-1489.
-
(1955)
Phys. Rev.
, vol.97
, pp. 1474-1489
-
-
Löwdin, P.-O.1
-
8
-
-
0013109820
-
Curvy steps for density-matrix based energy minimization: Tensor formulation and toy applications
-
Head-Gordon M., Shao Y., Saravanan C., White C.A. Curvy steps for density-matrix based energy minimization: tensor formulation and toy applications. Mol. Phys. 101:2003;37-43.
-
(2003)
Mol. Phys.
, vol.101
, pp. 37-43
-
-
Head-Gordon, M.1
Shao, Y.2
Saravanan, C.3
White, C.A.4
-
9
-
-
4243539377
-
Electronic structure calculations on workstation computers: The program system Turbomole
-
Ahlrichs R., Bär M., Häser M., Horn H., Kölmel C. Electronic structure calculations on workstation computers: the program system Turbomole. Chem. Phys. Lett. 162:1989;165-169.
-
(1989)
Chem. Phys. Lett.
, vol.162
, pp. 165-169
-
-
Ahlrichs, R.1
Bär, M.2
Häser, M.3
Horn, H.4
Kölmel, C.5
-
10
-
-
0035933993
-
Impact of electron-electron cusp on configuration interaction energies
-
Prendergast D., Nolan M., Fillipi C., Fahy S., Greer J.C. Impact of electron-electron cusp on configuration interaction energies. J. Chem. Phys. 115(4):2001;1626-1634.
-
(2001)
J. Chem. Phys.
, vol.115
, Issue.4
, pp. 1626-1634
-
-
Prendergast, D.1
Nolan, M.2
Fillipi, C.3
Fahy, S.4
Greer, J.C.5
-
11
-
-
85069091317
-
Pseudo-interactions and the electron-electron cusp
-
S. Fahy, P. Delaney, J.C. Greer, Pseudo-interactions and the electron-electron cusp, Psi-k Scientific Highlight 54. Available from < http://psi-k.dl.ac.uk/psi-k/highlights.html.
-
Psi-k Scientific Highlight
, vol.54
-
-
Fahy, S.1
Delaney, P.2
Greer, J.C.3
|