-
1
-
-
33748545362
-
2
-
DOI 10.1063/1.2336219
-
G. J. Halász,. Vibók, R. Baer, and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 125, 094102 (2006). 10.1063/1.2336219 (Pubitemid 44370698)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.9
, pp. 094102
-
-
Halasz, G.J.1
Vibok, A.2
Baer, R.3
Baer, M.4
-
2
-
-
34247401325
-
-
(a), JCPSA6 0021-9606, 10.1063/1.2717934; (b), J. Phys. A: Math. Theor. ZZZZZZ 1751-8113 40, F267 (2007). 10.1088/1751-8113/40/15/F01
-
(a) G. J. Halász,. Vibók, D. K. Hoffman, D. J. Kouri, and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 126, 154309 (2007) 10.1063/1.2717934; (b) G. J. Halász,. Vibók, R. Baer, and M. Baer, J. Phys. A: Math. Theor. ZZZZZZ 1751-8113 40, F267 (2007). 10.1088/1751-8113/40/15/F01
-
(2007)
J. Chem. Phys.
, vol.126
, pp. 154309
-
-
Halász, G.J.1
Vibók2
Hoffman, D.K.3
Kouri, D.J.4
Baer, M.5
Halász, G.J.6
Vibók7
Baer, R.8
Baer, M.9
-
3
-
-
0011558494
-
-
ZEPYAA 0044-3328,. 10.1007/BF01350054
-
E. Renner, Z. Phys. ZEPYAA 0044-3328 92, 172 (1934). 10.1007/BF01350054
-
(1934)
Z. Phys.
, vol.92
, pp. 172
-
-
Renner, E.1
-
4
-
-
0003588966
-
-
edited by G. Herzberg (Krieger, Malabar)
-
Molecular Spectra and Molecular Structure, edited by, G. Herzberg, (Krieger, Malabar, 1991), Vol. III.
-
(1991)
Molecular Spectra and Molecular Structure
, vol.3
-
-
-
5
-
-
78751494263
-
-
ADCPAA 0065-2385, 10.1002/0471433462.ch11;
-
M. Perić and S. Peyerimhoff, Adv. Chem. Phys. ADCPAA 0065-2385 124, 583 (2002) 10.1002/0471433462.ch11
-
(2002)
Adv. Chem. Phys.
, vol.124
, pp. 583
-
-
Perić, M.1
Peyerimhoff, S.2
-
8
-
-
84947140329
-
-
MOPHAM 0026-8976 10.1080/002689780001013213
-
Ch. Jungen and A. J. Merer, Mol. Phys. MOPHAM 0026-8976 40, 95 (1980) 10.1080/00268978000101321
-
(1980)
Mol. Phys.
, vol.40
, pp. 95
-
-
Jungen, Ch.1
Merer, A.J.2
-
9
-
-
0000073673
-
-
edited by, K. N. Rao, (Academic, New York, 1977)
-
Ch. Jungen and A. J. Merer, in Molecular Spectroscopy: Modern Research, edited by, K. N. Rao, (Academic, New York, 1977), Vol. 2, p. 127.
-
Molecular Spectroscopy: Modern Research
, vol.2
, pp. 127
-
-
Jungen, Ch.1
Merer, A.J.2
-
10
-
-
84947635892
-
-
MOPHAM 0026-8976, 10.1080/00268977400101071
-
R. Barrow, R. N. Dixon, and G. Duxbury, Mol. Phys. MOPHAM 0026-8976 27, 1217 (1974) 10.1080/00268977400101071
-
(1974)
Mol. Phys.
, vol.27
, pp. 1217
-
-
Barrow, R.1
Dixon, R.N.2
Duxbury, G.3
-
12
-
-
0032495628
-
-
0021-9606 10.1063/1.475619-10.1080/00268979000102621
-
G. Duxbury, B. McDonald, M. Van Gogh, A. Alijah, Ch. Jungen, and H. Palivan, J. Chem. Phys. JCPSA6 0021-9606 108, 2336 (1998). 10.1063/1.475619
-
(1998)
J. Chem. Phys. JCPSA6
, vol.108
, pp. 2336
-
-
Duxbury, G.1
McDonald, B.2
Van Gogh, M.3
Alijah, A.4
Jungen, Ch.5
Palivan, H.6
-
13
-
-
0000185098
-
-
ADCPAA 0065-2385,. 10.1002/9780470142769.ch2
-
J. M. Brown and F. Jorgenson, Adv. Chem. Phys. ADCPAA 0065-2385 52, 117 (1983). 10.1002/9780470142769.ch2
-
(1983)
Adv. Chem. Phys.
, vol.52
, pp. 117
-
-
Brown, J.M.1
Jorgenson, F.2
-
15
-
-
0142221508
-
Advances in Chemical Physics
-
edited by M. Baer and G. D. Billing (Wiley-Interscience, Hoboken, NJ) [in particular, see (a) M. S. Child (pp. 1); (b) S. Adhikari and G. D. Billing (pp. 143); (c) R. Englman and A. Yahalom (pp. 197); (d) A. Kuppermann and R. Abrol (pp. 283); and (e) G. A. Worth and M. A. Robb (pp. 355)]
-
The Role of Degenerate States in Chemistry, Advances in Chemical Physics. Vol. 124, edited by, M. Baer, and, G. D. Billing, (Wiley-Interscience, Hoboken, NJ, 2002); 10.1002/0471433462 [in particular, see (a) M. S. Child (pp. 1); (b) S. Adhikari and G. D. Billing (pp. 143); (c) R. Englman and A. Yahalom (pp. 197); (d) A. Kuppermann and R. Abrol (pp. 283); and (e) G. A. Worth and M. A. Robb (pp. 355)].
-
(2002)
The Role of Degenerate States in Chemistry
, vol.124
-
-
Child, M.S.1
Adhikari, S.2
Billing, G.D.3
Englman, R.4
Yahalom, A.5
Kuppermann, A.6
Abrol, R.7
Worth, G.A.8
Robb, M.A.9
-
16
-
-
0000588956
-
-
PRLAAZ 0950-1207, 10.1098/rspa.1937.0142
-
H. A. Jahn and E. Teller, Proc. R. Soc. London, Ser. A PRLAAZ 0950-1207 161, 220 (1937) 10.1098/rspa.1937.0142
-
(1937)
Proc. R. Soc. London, Ser. A
, vol.161
, pp. 220
-
-
Jahn, H.A.1
Teller, E.2
Child, M.S.3
Longuet Higgins, H.C.4
Herzberg, G.5
Longuet-Higgins, H.C.6
Longuet-Higgins, H.C.7
-
21
-
-
36749111080
-
-
JCPSA6 0021-9606, 10.1063/1.444780
-
C. A. Mead, J. Chem. Phys. JCPSA6 0021-9606 78, 807 (1983) 10.1063/1.444780
-
(1983)
J. Chem. Phys.
, vol.78
, pp. 807
-
-
Mead, C.A.1
Thompson, T.C.2
Truhlar, D.G.3
Mead, C.A.4
Xu, Z.-R.5
Baer, M.6
Varandas, A.J.C.7
Halász, G.J.8
Vibók9
Mebel, A.M.10
Baer, M.11
Han, S.12
Yarkony, D.13
-
23
-
-
0000580873
-
3: A line integral study
-
DOI 10.1063/1.480848
-
Z. -R. Xu, M. Baer, and A. J. C. Varandas, J. Chem. Phys. JCPSA6 0021-9606 112, 2746 (2000) 10.1063/1.480848; (Pubitemid 33640696)
-
(2000)
Journal of Chemical Physics
, vol.112
, Issue.6
, pp. 2746-2751
-
-
Xu, Z.1
Baer, M.2
Varandas, A.J.C.3
-
24
-
-
0037440875
-
-
0021-9606 10.1063/1.1536925
-
G. J. Halász,. Vibók, A. M. Mebel, and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 118, 3052 (2003) 10.1063/1.1536925;
-
(2003)
J. Chem. Phys. JCPSA6
, vol.118
, pp. 3052
-
-
Halász, G.J.1
-
26
-
-
0035934124
-
2H molecule
-
DOI 10.1063/1.1389842
-
A. M. Mebel, A. Yahalom, R. Englman, and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 115, 3673 (2001) 10.1063/1.1389842 (Pubitemid 32795681)
-
(2001)
Journal of Chemical Physics
, vol.115
, Issue.8
, pp. 3673-3689
-
-
Mebel, A.M.1
Yahalom, A.2
Englman, R.3
Baer, M.4
-
27
-
-
18144444110
-
-
0009-2614 10.1016/j.cplett.2004.05.043
-
T. V́rtesi and E. Bene, Chem. Phys. Lett. CHPLBC 0009-2614 392, 17 (2004) 10.1016/j.cplett.2004.05.043;
-
(2004)
Chem. Phys. Lett. CHPLBC
, vol.392
, pp. 17
-
-
V́rtesi, T.1
Bene, E.2
-
28
-
-
77749240440
-
-
1089-5639 10.1021/jp905038t
-
S. Al-Jabour, M. Baer, O. Deeb, M. Liebscher, J. Manz, X. Xu, and S. Zilberg, J. Phys. Chem. A JPCAFH 1089-5639 114, 2991 (2010). 10.1021/jp905038t
-
(2010)
J. Phys. Chem. A JPCAFH
, vol.114
, pp. 2991
-
-
Al-Jabour, S.1
Baer, M.2
Deeb, O.3
Liebscher, M.4
Manz, J.5
Xu, X.6
Zilberg, S.7
-
29
-
-
38049153472
-
-
JPAMA4 0022-3700,. 10.1088/0953-4075/41/2/025102
-
T. V́rtesi and R. Englman, J. Phys. B JPAMA4 0022-3700 41, 025102 (2008). 10.1088/0953-4075/41/2/025102
-
(2008)
J. Phys. B
, vol.41
, pp. 025102
-
-
V́rtesi, T.1
Englman, R.2
-
30
-
-
77956328260
-
-
private communication
-
G. J. Halász and. Vibók (private communication).
-
-
-
Halász, G.J.1
Vibók2
-
31
-
-
77956300780
-
-
MOLPRO, a package of ab initio programs designed by H. -J. Werner and P. J. Knowles with contributions from J. Almlöf, R. Amos, S. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. Stone
-
MOLPRO, a package of ab initio programs designed by H. -J. Werner and P. J. Knowles with contributions from J. Almlöf, R. Amos, S. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. Stone.
-
-
-
-
35
-
-
0000677123
-
-
(a) M. Baer, Chem. Phys. Lett. CHPLBC 0009-2614 35, 112 (1975) 10.1016/0009-2614(75)85599-0
-
(1975)
Chem. Phys. Lett.
, vol.35
, pp. 112
-
-
Baer, M.1
-
36
-
-
77956329755
-
-
(b) (Ref.), Sec. 4.2
-
(b) (Ref.), Sec. 4.2
-
-
-
-
37
-
-
77956300569
-
-
(c) (Ref.), Sec. 1.2.
-
(c) (Ref.), Sec. 1.2.
-
-
-
-
39
-
-
77956317893
-
-
(b) (Ref.), Chap.
-
(b) (Ref.), Chap.;
-
-
-
-
40
-
-
10844279825
-
Combinatorial invariants and covariants as tools for conical intersections
-
DOI 10.1063/1.1808695
-
(c) I. Ryb and R. Baer, J. Chem. Phys. JCPSA6 0021-9606 121, 10370 (2004) 10.1063/1.1808695; (Pubitemid 40001579)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.21
, pp. 10370-10375
-
-
Ryb, I.1
Baer, R.2
-
41
-
-
0037159427
-
Born-Oppenheimer invariants along nuclear configuration paths
-
DOI 10.1063/1.1515768
-
(d) R. Baer, J. Chem. Phys. JCPSA6 0021-9606 117, 7405 (2002). 10.1063/1.1515768 (Pubitemid 35354305)
-
(2002)
Journal of Chemical Physics
, vol.117
, Issue.16
, pp. 7405-7408
-
-
Baer, R.1
-
42
-
-
0000498720
-
-
CHPLBC 0009-2614 319; 10.1016/S0009-2614(00)00195-0
-
(a) M. Baer and A. Alijah, Chem. Phys. Lett. CHPLBC 0009-2614 319, 489 (2000) 10.1016/S0009-2614(00)00195-0
-
(2000)
Chem. Phys. Lett.
, vol.319
, pp. 489
-
-
Baer, M.1
Alijah, A.2
Baer, M.3
Lin, S.H.4
Alijah, A.5
Adhikari, S.6
Billing, G.D.7
Avery, J.8
Baer, M.9
Billing, G.D.10
-
43
-
-
0041359888
-
-
1050-2947 10.1103/PhysRevA.62.032506
-
(b) M. Baer, S. H. Lin, A. Alijah, S. Adhikari, and G. D. Billing, Phys. Rev. A PLRAAN 1050-2947 62, 032506 (2000) 10.1103/PhysRevA.62.032506;
-
(2000)
Phys. Rev. A PLRAAN
, vol.62
, pp. 032506
-
-
Baer, M.1
Lin, S.H.2
Alijah, A.3
Adhikari, S.4
Billing, G.D.5
-
44
-
-
77956324422
-
-
(Ref.), Sec. 2.1.3.3
-
(c) (Ref.), Sec. 2.1.3.3;
-
-
-
-
45
-
-
0037052263
-
Some properties of electronic non-adiabatic coupling terms
-
DOI 10.1080/00268970110109475
-
(d) J. Avery, M. Baer, and G. D. Billing, Mol. Phys. MOPHAM 0026-8976 100, 1011 (2002). 10.1080/00268970110109475 (Pubitemid 35445934)
-
(2002)
Molecular Physics
, vol.100
, Issue.7
, pp. 1011-1015
-
-
Avery, J.1
Baer, M.2
Billing, G.D.3
-
46
-
-
0000576095
-
-
10.1063/1.434032 JCPSA6 0021-9606
-
(a) Z. H. Top and M. Baer, J. Chem. Phys. JCPSA6 0021-9606 66, 1363 (1977) 10.1063/1.434032
-
(1977)
J. Chem. Phys.
, vol.66
, pp. 1363
-
-
Top, Z.H.1
Baer, M.2
Alijah, A.3
Baer, M.4
V́rtesi, T.5
Bene, E.6
Vibok, A.7
Halasz, G.J.8
Baer, M.9
Sarkar, B.10
Adhikari, S.11
-
47
-
-
0011557548
-
-
JPCAFH 1089-5639. 10.1021/jp992742o
-
(b) A. Alijah and M. Baer, J. Phys. Chem. A JPCAFH 1089-5639 104, 389 (2000) 10.1021/jp992742o
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 389
-
-
Alijah, A.1
Baer, M.2
-
48
-
-
18144428352
-
N-state adiabatic-to-diabatic transformation angle: Theory and application
-
DOI 10.1021/jp044195z
-
(c) T. V́rtesi, E. Bene, A. Vibok, G. J. Halasz, and M. Baer, J. Phys. Chem. A JPCAFH 1089-5639 109, 3476 (2005) 10.1021/jp044195z (Pubitemid 40609812)
-
(2005)
Journal of Physical Chemistry A
, vol.109
, Issue.15
, pp. 3476-3484
-
-
Vertesi, T.1
Bene, E.2
Vibok, A.3
Halasz, G.J.4
Baer, M.5
-
49
-
-
33244481968
-
Extended Born-Oppenheimer equation for a three-state system
-
DOI 10.1063/1.2170089
-
(d) B. Sarkar and S. Adhikari, J. Chem. Phys. JCPSA6 0021-9606 124, 074101 (2006) 10.1063/1.2170089 (Pubitemid 43278102)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.7
, pp. 074101
-
-
Sarkar, B.1
Adhikari, S.2
-
50
-
-
77956323821
-
-
(e) (Ref.), Sec. 8.3.3.2.
-
(e) (Ref.), Sec. 8.3.3.2.
-
-
-
-
51
-
-
77955066210
-
-
10.1103/PhysRevB.81.115433, 0556-2805
-
M. S. Kaczmarski, Y. Ma, and M. Rohlfing, Phys. Rev. B PLRBAQ 0556-2805 81, 115433 (2010) 10.1103/PhysRevB.81.115433
-
(2010)
Phys. Rev. B
, vol.81
, pp. 115433
-
-
Kaczmarski, M.S.1
Ma, Y.2
Rohlfing, M.3
Kaczmarski, M.S.4
Rohlfing, M.5
Godsi, P.O.6
Evenhuis, C.R.7
Collins, M.A.8
Kuppermann, A.9
Abrol, R.10
-
52
-
-
76749168505
-
-
JPAMA4 0022-3700 10.1088/0953-4075/43/5/051001
-
M. S. Kaczmarski and M. Rohlfing, J. Phys. B JPAMA4 0022-3700 43, 051001 (2010) 10.1088/0953-4075/43/5/051001
-
(2010)
J. Phys. B
, vol.43
, pp. 051001
-
-
Kaczmarski, M.S.1
Rohlfing, M.2
-
53
-
-
33748701069
-
Interpolation of multidimensional diabatic potential energy matrices
-
DOI 10.1063/1.2338912
-
P. O. Godsi, C. R. Evenhuis, and M. A. Collins, J. Chem. Phys. JCPSA6 0021-9606 125, 104105 (2006) 10.1063/1.2338912 (Pubitemid 44396485)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.10
, pp. 104105
-
-
Godsi, O.1
Evenhuis, C.R.2
Collins, M.A.3
-
54
-
-
0142221508
-
-
ADCPAA 0065-2385 10.1002/0471433462.ch5
-
A. Kuppermann and R. Abrol, Adv. Chem. Phys. ADCPAA 0065-2385 124, 323 (2002). 10.1002/0471433462.ch5
-
(2002)
Adv. Chem. Phys.
, vol.124
, pp. 323
-
-
Kuppermann, A.1
Abrol, R.2
-
56
-
-
84946347430
-
-
MOPHAM 0026-8976 10.1080/00268979200100231
-
(b)M. Baer and R. Englman, Mol. Phys. MOPHAM 0026-8976 75, 293 (1992). 10.1080/00268979200100231
-
(1992)
Mol. Phys.
, vol.75
, pp. 293
-
-
Baer, M.1
Englman, R.2
-
57
-
-
5644301188
-
2 molecule
-
DOI 10.1039/b313883f
-
M. Baer, T. Vertesi, G. J. Halasz, A. Vibok, and S. Suhai, Faraday Discuss. FDISE6 0301-7249 127, 337 (2004) 10.1039/b313883f (Pubitemid 39369454)
-
(2004)
Faraday Discussions
, vol.127
, pp. 337-353
-
-
Baer, M.1
Ve'rtesi, T.2
Halasz, G.J.3
Vibok, A.4
Suhai, S.5
-
58
-
-
0000700105
-
-
0021-9606 10.1063/1.472972
-
D. R. Yarkony, J. Chem. Phys. JCPSA6 0021-9606 105, 10456 (1996) 10.1063/1.472972
-
(1996)
J. Chem. Phys. JCPSA6
, vol.105
, pp. 10456
-
-
Yarkony, D.R.1
-
59
-
-
11144225164
-
+ quasimolecule
-
DOI 10.1063/1.1814936, 10
-
P. Barragan, L. F. Errea, A. Macias, L. Mendez, A. Riera, J. M. Lucas, and A. Aguilar, J. Chem. Phys. JCPSA6 0021-9606 121, 11629 (2004) 10.1063/1.1814936 (Pubitemid 40048643)
-
(2004)
Journal of Chemical Physics
, vol.121
, Issue.23
, pp. 11629-11638
-
-
Barragan, P.1
Errea, L.F.2
Macias, A.3
Mendez, L.4
Rabadan, I.5
Riera, A.6
Lucas, J.M.7
Aguilar, A.8
-
60
-
-
42149171079
-
Finding important anharmonic terms in the sixth-order potential energy function by the scaled hypersphere search method: An application to vibrational analyses of molecules and clusters
-
DOI 10.1063/1.2884348
-
C. Hu, H. Hirai, and O. Sugino, J. Chem. Phys. JCPSA6 0021-9606 128, 144111 (2008) 10.1063/1.2884348 (Pubitemid 351537148)
-
(2008)
Journal of Chemical Physics
, vol.128
, Issue.14
, pp. 144111
-
-
Maeda, S.1
Watanabe, Y.2
Ohno, K.3
-
61
-
-
34547898456
-
Nonadiabatic couplings from time-dependent density functional theory: Formulation in the Casida formalism and practical scheme within modified linear response
-
DOI 10.1063/1.2755665
-
C. Hu, H. Hirai, and O. Sugino, J. Chem. Phys. JCPSA6 0021-9606 127, 064103 (2007) 10.1063/1.2755665 (Pubitemid 47258933)
-
(2007)
Journal of Chemical Physics
, vol.127
, Issue.6
, pp. 064103
-
-
Hu, C.1
Hirai, H.2
Sugino, O.3
-
62
-
-
76749168552
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.104.073001
-
R. Baer, Phys. Rev. Lett. PRLTAO 0031-9007 104, 073001 (2010). 10.1103/PhysRevLett.104.073001
-
(2010)
Phys. Rev. Lett.
, vol.104
, pp. 073001
-
-
Baer, R.1
|