-
3
-
-
33745770836
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985); 284 (1985); 299 (1985).
-
(1985)
J. Chem. Phys.
, pp. 284
-
-
-
4
-
-
33745770836
-
-
P. J. Hay and W. R. Wadt, J. Chem. Phys. 82, 270 (1985); 284 (1985); 299 (1985).
-
(1985)
J. Chem. Phys.
, pp. 299
-
-
-
9
-
-
0003964564
-
-
Handbook of Gaussian Basis Sets Elsevier, New York
-
R. Poirier, R. Kari, and I. G. Csizmadia, Handbook of Gaussian Basis Sets (Elsevier, New York, 1985), Physical Sciences Data, Vol. 24; T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970).
-
(1985)
Physical Sciences Data
, vol.24
-
-
Poirier, R.1
Kari, R.2
Csizmadia, I.G.3
-
10
-
-
28944448300
-
-
R. Poirier, R. Kari, and I. G. Csizmadia, Handbook of Gaussian Basis Sets (Elsevier, New York, 1985), Physical Sciences Data, Vol. 24; T. H. Dunning, Jr., J. Chem. Phys. 53, 2823 (1970).
-
(1970)
J. Chem. Phys.
, vol.53
, pp. 2823
-
-
Dunning Jr., T.H.1
-
11
-
-
36849140788
-
-
S. Huzinaga, J. Chem. Phys. 42, 1293 (1965); S. Huzinaga and Y. Sakai, J. Chem. Phys. 50, 1371 (1969); S. Huzinaga, J. Chem. Phys. 66, 4245 (1977).
-
(1965)
J. Chem. Phys.
, vol.42
, pp. 1293
-
-
Huzinaga, S.1
-
12
-
-
18144405440
-
-
S. Huzinaga, J. Chem. Phys. 42, 1293 (1965); S. Huzinaga and Y. Sakai, J. Chem. Phys. 50, 1371 (1969); S. Huzinaga, J. Chem. Phys. 66, 4245 (1977).
-
(1969)
J. Chem. Phys.
, vol.50
, pp. 1371
-
-
Huzinaga, S.1
Sakai, Y.2
-
13
-
-
36749121012
-
-
S. Huzinaga, J. Chem. Phys. 42, 1293 (1965); S. Huzinaga and Y. Sakai, J. Chem. Phys. 50, 1371 (1969); S. Huzinaga, J. Chem. Phys. 66, 4245 (1977).
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 4245
-
-
Huzinaga, S.1
-
14
-
-
0005867244
-
-
A. J. H. Wachters, J. Chem. Phys. 52, 1033 (1970); E. R. Davidson and D. Feller, Chem. Rev. 86, 681 (1986).
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 1033
-
-
Wachters, A.J.H.1
-
15
-
-
10844264917
-
-
A. J. H. Wachters, J. Chem. Phys. 52, 1033 (1970); E. R. Davidson and D. Feller, Chem. Rev. 86, 681 (1986).
-
(1986)
Chem. Rev.
, vol.86
, pp. 681
-
-
Davidson, E.R.1
Feller, D.2
-
17
-
-
0041857031
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 5852
-
-
Dolg, M.1
Stoll, H.2
Preuss, H.3
Pitzer, R.M.4
-
18
-
-
36449003331
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 3762
-
-
Seijo, L.1
Barandiaran, Z.2
Huzinaga, S.3
-
19
-
-
0041857031
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612
-
-
Stevens, W.J.1
Krauss, M.2
Basch, H.3
Jasien, P.G.4
-
20
-
-
84987084558
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1992)
Int. J. Quantum Chem.
, vol.42
, pp. 509
-
-
-
21
-
-
84987111620
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1991)
Int. J. Quantum Chem.
, vol.40
, pp. 829
-
-
Ermler, W.C.1
Ross, R.B.2
Christiansen, P.A.3
-
22
-
-
84988129108
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1987)
J. Comp. Chem.
, vol.8
, pp. 226
-
-
Sakai, Y.1
Miyoshi, E.2
Klobukowski, M.3
Huzinaga, S.4
-
23
-
-
0041857031
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1987)
J. Comp. Chem.
, vol.256
-
-
-
24
-
-
84987084474
-
-
M. Dolg, H. Stoll, H. Preuss, R. M. Pitzer, J. Phys. Chem. 97, 5852 (1993); L. Seijo, Z. Barandiaran and S. Huzinaga, J. Chem. Phys. 94, 3762 (1991); W. J. Stevens, M. Krauss, H. Basch, and P. G. Jasien, Can. J. Chem. 70, 612 (1992); Y. Hannachi, J. C. Barthelat, L.-H. Jolly, B. Silvi, and Y. Boutteiler, Int. J. Quantum Chem. 42, 509 (1992); W. C. Ermler, R. B. Ross, and P. A. Christiansen, Int. J. Quantum Chem. 40, 829 (1991); Y. Sakai, E. Miyoshi, M. Klobukowski, and S. Huzinaga, J. Comp. Chem. 8, 226 (1987); ibid. 256 (1987); D. B. Cook, Int. J. Quantum Chem. 53, 309 (1995).
-
(1995)
Int. J. Quantum Chem.
, vol.53
, pp. 309
-
-
Cook, D.B.1
-
27
-
-
26144450583
-
-
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980); J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.1
Zunger, A.2
-
28
-
-
0003911492
-
-
Addison-Wesley
-
See, for example, S. E. Koonin and D. C. Meredith, Computational Physics-Fortran Version (Addison-Wesley, 1990), pp. 147 and 148 L. E. Elsgolc, Calculus of Variations (Pergamon Press, 1961), p. 51.
-
(1990)
Computational Physics-Fortran Version
, pp. 147
-
-
Koonin, S.E.1
Meredith, D.C.2
-
29
-
-
0003814295
-
-
Pergamon Press
-
See, for example, S. E. Koonin and D. C. Meredith, Computational Physics-Fortran Version (Addison-Wesley, 1990), pp. 147 and 148 L. E. Elsgolc, Calculus of Variations (Pergamon Press, 1961), p. 51.
-
(1961)
Calculus of Variations
, pp. 51
-
-
Elsgolc, L.E.1
-
30
-
-
0003474751
-
-
Cambridge University Press, Cambridge
-
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes in FORTRAN (Cambridge University Press, Cambridge, 1992), p. 413.
-
(1992)
Numerical Recipes in FORTRAN
, pp. 413
-
-
Press, W.H.1
Teukolsky, S.A.2
Vetterling, W.T.3
Flannery, B.P.4
-
31
-
-
0002183979
-
-
A. P. P. Natalense, M. H. F. Bettega, L. G. Ferreira, and M. A. P. Lima, Phys. Rev. A 52, R1 (1995).
-
(1995)
Phys. Rev. A
, vol.52
-
-
Natalense, A.P.P.1
Bettega, M.H.F.2
Ferreira, L.G.3
Lima, M.A.P.4
|