-
1
-
-
0033435082
-
The lowest triplet and singlet electronic states of the molecule so
-
Borin, A. C., Ornellas, F. R., The lowest triplet and singlet electronic states of the molecule SO, Chem. Phys., 1999, 247(3): 351.
-
(1999)
Chem. Phys.
, vol.247
, Issue.3
, pp. 351
-
-
Borin, A.C.1
Ornellas, F.R.2
-
3
-
-
0001564905
-
A CASSCF-CASPT2 study of excited-state intra-molecular proton transfer reaction in 1-amino-3-propenal using different active space
-
Fores, A., Adamowich, L., A CASSCF-CASPT2 study of excited-state intra-molecular proton transfer reaction in 1-amino-3-propenal using different active space, J. Comput. Chem., 1999, 20(3): 1422.
-
(1999)
J. Comput. Chem.
, vol.20
, Issue.3
, pp. 1422
-
-
Fores, A.1
Adamowich, L.2
-
4
-
-
5244301246
-
Multireference Moller-Plesset perturbation theory for high-spin open-shell systems
-
Hirao, K., Multireference Moller-Plesset perturbation theory for high-spin open-shell systems, Chem. Phys. Letters, 1992, 196: 397.
-
(1992)
Chem. Phys. Letters
, vol.196
, pp. 397
-
-
Hirao, K.1
-
5
-
-
0001514270
-
Brillouin-Wigner based multi-reference perturbation theory for electronic correlation effects
-
Wenzel, W., Steiner, M. M., Brillouin-Wigner based multi-reference perturbation theory for electronic correlation effects, J. Chem. Phys., 1998, 108(12): 4714.
-
(1998)
J. Chem. Phys.
, vol.108
, Issue.12
, pp. 4714
-
-
Wenzel, W.1
Steiner, M.M.2
-
6
-
-
0001103059
-
Diagrammatic complete active space perturbation theory
-
Finley, J. P., Diagrammatic complete active space perturbation theory, J. Chem. Phys., 1998, 108(3): 1081.
-
(1998)
J. Chem. Phys.
, vol.108
, Issue.3
, pp. 1081
-
-
Finley, J.P.1
-
7
-
-
0000632926
-
Many-body multireference Moller-Plesent and Epstein-Nesbet perturbation theory: Fast evaluation of second-order energy contribution
-
Cimiraglia, R., Many-body multireference Moller-Plesent and Epstein-Nesbet perturbation theory: fast evaluation of second-order energy contribution, Int. J. Quant. Chem., 1996, 60(1): 167.
-
(1996)
Int. J. Quant. Chem.
, vol.60
, Issue.1
, pp. 167
-
-
Cimiraglia, R.1
-
8
-
-
0031206457
-
Multiconfiguration perturbation theory with imaginary level shift
-
Forsberg, N., Malmqvist, P., Multiconfiguration perturbation theory with imaginary level shift, Chem. Phys. Lett., 1997, 274:196.
-
(1997)
Chem. Phys. Lett.
, vol.274
, pp. 196
-
-
Forsberg, N.1
Malmqvist, P.2
-
9
-
-
36449000049
-
Considerations in constructing a multi-reference second order perturbation theory
-
Kozlowski, P. M., Davidson, E. R., Considerations in constructing a multi-reference second order perturbation theory, J. Chem. Phys., 1994, 100: 3672.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 3672
-
-
Kozlowski, P.M.1
Davidson, E.R.2
-
10
-
-
0040793673
-
Second-order perturbation theory using correlated orbitals, II. A coupled MCSCF perturbation strategy for electronic spectra and its applications to ethylene, formaldehyde and vinylidene
-
Parisel, O., Ellinger, Y., Second-order perturbation theory using correlated orbitals, II. A coupled MCSCF perturbation strategy for electronic spectra and its applications to ethylene, formaldehyde and vinylidene, Chem. Phys., 1996, 205: 323.
-
(1996)
Chem. Phys.
, vol.205
, pp. 323
-
-
Parisel, O.1
Ellinger, Y.2
-
11
-
-
0013004607
-
Second-order perturbation theory with a CASSCF reference function
-
Anderson, K., Malmqvist, P., Roos, B. O. et al., Second-order perturbation theory with a CASSCF reference function, J. Phys. Chem., 1990, 94: 5483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Anderson, K.1
Malmqvist, P.2
Roos, B.O.3
-
12
-
-
85080795114
-
Tests and applications of complete model space quasidegenerate many-body perturbation theory for molecules methods
-
(eds. Keldor, U.), Berlin, Heidberg: Springer-Verlag
-
Freed, K. F., Tests and applications of complete model space quasidegenerate many-body perturbation theory for molecules methods, in Many-Body Methods in Quantum Chemistry (eds. Keldor, U.), Berlin, Heidberg: Springer-Verlag, 1988.
-
(1988)
Many-Body Methods in Quantum Chemistry
-
-
Freed, K.F.1
-
13
-
-
0003473266
-
-
Berlin, Heidberg: Springer-Verlag
-
Lindgren, I., Morrison, J., Atomic Many-Body Theory, Berlin, Heidberg: Springer-Verlag, 1982.
-
(1982)
Atomic Many-Body Theory
-
-
Lindgren, I.1
Morrison, J.2
-
14
-
-
19044385282
-
A method to fast determine the coefficients in CI calculations
-
Gan Zhengting, Su Kehe, Wang Yubin et al., A method to fast determine the coefficients in CI calculations , Science in China, Series B, 1999, 42(1): 43.
-
(1999)
Science in China, Series B
, vol.42
, Issue.1
, pp. 43
-
-
Gan, Z.1
Su, K.2
Wang, Y.3
-
15
-
-
35948947765
-
Studies in perturbation theory IV
-
Lowdin, P. -O., Studies in perturbation theory IV, J. Math. Phys., 1962, 3: 969.
-
(1962)
J. Math. Phys.
, vol.3
, pp. 969
-
-
Lowdin, P.O.1
-
16
-
-
0038646852
-
k approximation CI methods
-
k approximation CI methods, Chem. Phys. Lett., 1992, 192:135.
-
(1992)
Chem. Phys. Lett.
, vol.192
, pp. 135
-
-
Shavitt, I.1
-
17
-
-
36849099927
-
Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions
-
Huron, B., Rancurel, P., Malrieu, J. P., Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions, J. Chem. Phys., 1973, 58: 5745.
-
(1973)
J. Chem. Phys.
, vol.58
, pp. 5745
-
-
Huron, B.1
Rancurel, P.2
Malrieu, J.P.3
-
19
-
-
0038722308
-
An adjustable contracted CI method
-
Wang Yubin, Gan Zhengting, Su Kehe, An adjustable contracted CI method, Science in China, Series B, 1999, 42(6): 649.
-
(1999)
Science in China, Series B
, vol.42
, Issue.6
, pp. 649
-
-
Wang, Y.1
Gan, Z.2
Su, K.3
-
20
-
-
0346001223
-
The QCI potential energy curves of several molecules and negative ions
-
Li Zhaolong, Su Kehe, Wang Yubin et al., The QCI potential energy curves of several molecules and negative ions, J. Mol. Sci. (in Chinese), 1998, 14(4): 242.
-
(1998)
J. Mol. Sci. (in Chinese)
, vol.14
, Issue.4
, pp. 242
-
-
Li, Z.1
Su, K.2
Wang, Y.3
|