-
1
-
-
0040993572
-
Convergent iterative methods for the Hartree eigenproblem
-
G. Auchmuty and Wenyao Jia, Convergent iterative methods for the Hartree eigenproblem. RAIRO Modél Math. Anal. Numér. 28 (1994) 575-610.
-
(1994)
RAIRO Modél Math. Anal. Numér.
, vol.28
, pp. 575-610
-
-
Auchmuty, G.1
Wenyao, J.2
-
2
-
-
0000203351
-
There are no unfilled shells in unrestricted Hartree-Fock theory
-
V. Bach, E.H. Lieb, M. Loss and J.P. Solovej, There are no unfilled shells in unrestricted Hartree-Fock theory. Phys. Rev. Lett. 72 (1994) 2981-2983.
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 2981-2983
-
-
Bach, V.1
Lieb, E.H.2
Loss, M.3
Solovej, J.P.4
-
3
-
-
0007416047
-
General properties of the Hartree-Fock problem demonstrated on the frontier orbital model. II. Analysis of the customary iterative procedure
-
V. Bonačić-Koutecký and J. Koutecký, General properties of the Hartree-Fock problem demonstrated on the frontier orbital model. II. Analysis of the customary iterative procedure. Theoret. Chim. Acta 36 (1975) 163-180.
-
(1975)
Theoret. Chim. Acta
, vol.36
, pp. 163-180
-
-
Bonačić-Koutecký, V.1
Koutecký, J.2
-
4
-
-
0040399411
-
A general relation between the intrinsic convergence prcperties of SCF Hartree-Fock calculations and the stability conditions of their solutions
-
J.C. Facelli and R.H. Contreras, A general relation between the intrinsic convergence prcperties of SCF Hartree-Fock calculations and the stability conditions of their solutions. J. Chem. Phys. 79 (1983) 3421-3423.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 3421-3423
-
-
Facelli, J.C.1
Contreras, R.H.2
-
5
-
-
0039114768
-
Optimization of SCF LCAO wave functions
-
R. Fletcher, Optimization of SCF LCAO wave functions. Mol. Phys. 19 (1970) 55-63.
-
(1970)
Mol. Phys.
, vol.19
, pp. 55-63
-
-
Fletcher, R.1
-
8
-
-
0040920531
-
A new direct minimization algorithm for Hartree-Fock calculations
-
A. Igawa and H. Fukutome, A new direct minimization algorithm for Hartree-Fock calculations. Progr. Theoret. Phys. 54 (1975) 1266-1281.
-
(1975)
Progr. Theoret. Phys.
, vol.54
, pp. 1266-1281
-
-
Igawa, A.1
Fukutome, H.2
-
9
-
-
0007417257
-
On convergence difficulties in the iterative Hartree-Fock procedure
-
J. Koutecký and V. Bonačić, On convergence difficulties in the iterative Hartree-Fock procedure. J. Chem. Phys. 55 (1971) 2408-2413.
-
(1971)
J. Chem. Phys.
, vol.55
, pp. 2408-2413
-
-
Koutecký, J.1
Bonačić, V.2
-
10
-
-
84916181784
-
Existence and uniqueness of the minimizing solution of Choquard's nonlinear equation
-
E.H. Lieb, Existence and uniqueness of the minimizing solution of Choquard's nonlinear equation. Stud. Appl. Math. 57 (1977) 93-105.
-
(1977)
Stud. Appl. Math.
, vol.57
, pp. 93-105
-
-
Lieb, E.H.1
-
11
-
-
3342981749
-
Bound on the maximum negative ionization of atoms and molecules
-
E.H. Lieb, Bound on the maximum negative ionization of atoms and molecules. Phys. Rev. A 29 (1984) 3018-3028.
-
(1984)
Phys. Rev. A
, vol.29
, pp. 3018-3028
-
-
Lieb, E.H.1
-
12
-
-
0000368619
-
The Hartree-Fock theory for Coulomb systems
-
E.H. Lieb and B. Simon, The Hartree-Fock theory for Coulomb systems. Comm. Math. Phys. 53 (1977) 185-194.
-
(1977)
Comm. Math. Phys.
, vol.53
, pp. 185-194
-
-
Lieb, E.H.1
Simon, B.2
-
13
-
-
0001929193
-
Solutions of Hartree-Fock equations for Coulomb systems
-
P.L. Lions, Solutions of Hartree-Fock equations for Coulomb systems. Comm. Math. Phys. 109 (1987) 33-97.
-
(1987)
Comm. Math. Phys.
, vol.109
, pp. 33-97
-
-
Lions, P.L.1
-
14
-
-
0001332894
-
The density matrix in self-consistent field theory. I. Iterative construction of the density matrix
-
R. McWeeny, The density matrix in self-consistent field theory. I. Iterative construction of the density matrix. Proc. Roy. Soc. London Ser. A 235 (1956) 496-509.
-
(1956)
Proc. Roy. Soc. London Ser. A
, vol.235
, pp. 496-509
-
-
McWeeny, R.1
-
17
-
-
44349162071
-
Improved SCF convergence acceleration
-
P. Pulay, Improved SCF convergence acceleration. J. Comput. Chem. 3 (1982) 556-560.
-
(1982)
J. Comput. Chem.
, vol.3
, pp. 556-560
-
-
Pulay, P.1
-
20
-
-
2342430094
-
New developments in molecular orbital theory
-
C.C.J. Roothaan, New developments in molecular orbital theory. Rev. Modern Phys. 23 (1951) 69-89.
-
(1951)
Rev. Modern Phys.
, vol.23
, pp. 69-89
-
-
Roothaan, C.C.J.1
-
21
-
-
84987063960
-
A "level-shifting" method for converging closed shell Hartree-Fock wave functions
-
V.R. Saunders and I.H. Hillier, A "level-shifting" method for converging closed shell Hartree-Fock wave functions. Int. J. Quantum Chem. 7 (1973) 699-705.
-
(1973)
Int. J. Quantum Chem.
, vol.7
, pp. 699-705
-
-
Saunders, V.R.1
Hillier, I.H.2
-
23
-
-
0001333655
-
Self-consistent molecular orbital methods. XVI. Numerically stable direct energy minimization procedures for solution of Hartree-Fock equations
-
R. Seeger R. and J.A. Pople, Self-consistent molecular orbital methods. XVI. Numerically stable direct energy minimization procedures for solution of Hartree-Fock equations. J. Chem. Phys. 65 (1976) 265-271.
-
(1976)
J. Chem. Phys.
, vol.65
, pp. 265-271
-
-
Seeger, R.R.1
Pople, J.A.2
-
24
-
-
0010814447
-
The existence and cure of intrinsic divergence in closed shell SCF calculations
-
R.E. Stanton, The existence and cure of intrinsic divergence in closed shell SCF calculations. J. Chem. Phys. 75 (1981) 3426-3432.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 3426-3432
-
-
Stanton, R.E.1
-
25
-
-
0010936213
-
Intrinsic convergence in closed-shell SCF calculations. A general criterion
-
R.E. Stanton, Intrinsic convergence in closed-shell SCF calculations. A general criterion. J. Chem. Phys. 75 (1981) 5416-5422.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 5416-5422
-
-
Stanton, R.E.1
-
26
-
-
0000315509
-
A dynamical damping scheme for converging molecular SCF calculations
-
M.C. Zerner and M. Hehenberger, A dynamical damping scheme for converging molecular SCF calculations. Chem. Phys. Lett. 62 (1979) 550-554.
-
(1979)
Chem. Phys. Lett.
, vol.62
, pp. 550-554
-
-
Zerner, M.C.1
Hehenberger, M.2
|