-
1
-
-
0003447168
-
Clusters of atoms and molecules
-
edited by H. Haberland (Springer, New York)
-
Clusters of Atoms and Molecules, Springer Ser. Chem. Phys. Vol. 52, edited by, H. Haberland, (Springer, New York, 1994).
-
(1994)
Springer Ser. Chem. Phys.
, vol.52
-
-
-
3
-
-
33746866314
-
Electron impact fragmentation of size-selected krypton clusters
-
DOI 10.1021/jp0626061
-
C. Steinbach, M. Fárník, U. Buck, C. A. Brindle, and K. C. Janda, J. Phys. Chem. A 1089-5639 110, 9108 (2006). 10.1021/jp0626061 (Pubitemid 44187334)
-
(2006)
Journal of Physical Chemistry A
, vol.110
, Issue.29
, pp. 9108-9115
-
-
Steinbach, C.1
Farnik, M.2
Buck, U.3
Brindle, C.A.4
Janda, K.C.5
-
4
-
-
58249108120
-
-
1387-3806. 10.1016/j.ijms.2008.07.024
-
V. Poterya, M. Fárník, U. Buck, D. Bonhommeau, and N. Halberstadt, Int. J. Mass. Spectrom. 1387-3806 280, 78 (2009). 10.1016/j.ijms.2008.07.024
-
(2009)
Int. J. Mass. Spectrom.
, vol.280
, pp. 78
-
-
Poterya, V.1
Fárník, M.2
Buck, U.3
Bonhommeau, D.4
Halberstadt, N.5
-
5
-
-
33947483877
-
-
0002-7863. 10.1021/ja00905a002
-
F. O. Ellison, J. Am. Chem. Soc. 0002-7863 85, 3540 (1963). 10.1021/ja00905a002
-
(1963)
J. Am. Chem. Soc.
, vol.85
, pp. 3540
-
-
Ellison, F.O.1
-
6
-
-
34250930798
-
-
0044-3328. 10.1007/BF01329203
-
P. Ehrenfest, Z. Phys. 0044-3328 45, 455 (1927). 10.1007/BF01329203
-
(1927)
Z. Phys.
, vol.45
, pp. 455
-
-
Ehrenfest, P.1
-
7
-
-
13044304431
-
-
0021-9606. 10.1063/1.459170
-
J. C. Tully, J. Chem. Phys. 0021-9606 93, 1061 (1990). 10.1063/1.459170
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1061
-
-
Tully, J.C.1
-
8
-
-
33748685656
-
Theoretical modeling of postionization fragmentation of rare-gas trimer cations
-
DOI 10.1063/1.2337632
-
I. Janeček, D. Hrivák, R. Kalus, and F. X. Gadea, J. Chem. Phys. 0021-9606 125, 104315 (2006). 10.1063/1.2337632 (Pubitemid 44396506)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.10
, pp. 104315
-
-
Janecek, I.1
Hrivnak, D.2
Kalus, R.3
Gadea, F.X.4
-
9
-
-
34547648278
-
-
0021-9606. 10.1063/1.2186645
-
D. Bonhommeau, T. Bouissou, N. Halberstadt, and A. Viel, J. Chem. Phys. 0021-9606 124, 164308 (2006). 10.1063/1.2186645
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 164308
-
-
Bonhommeau, D.1
Bouissou, T.2
Halberstadt, N.3
Viel, A.4
-
11
-
-
34547926319
-
n,=2 to 11) following electron-impact ionization: Modeling and comparison with experiment
-
DOI 10.1063/1.2194552
-
D. Bonhommeau, N. Halberstadt, and A. Viel, J. Chem. Phys. 0021-9606 124, 184314 (2006). 10.1063/1.2194552 (Pubitemid 43736804)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.18
, pp. 184314
-
-
Bonhommeau, D.1
Halberstadt, N.2
Viel, A.3
-
12
-
-
0002507440
-
-
edited by D. L. Thompson (World Scientific, Singapore)
-
J. C. Tully, in Modern Methods for Multidimensional Dynamics Computations in Chemistry, edited by, D. L. Thompson, (World Scientific, Singapore, 1998), pp. 34-72.
-
(1998)
Modern Methods for Multidimensional Dynamics Computations in Chemistry
, pp. 34-72
-
-
Tully, J.C.1
-
13
-
-
0000051294
-
-
0301-0104. 10.1016/0301-0104(89)87044-2
-
M. Amarouche, F. X. Gadea, and J. Durup, Chem. Phys. 0301-0104 130, 145 (1989). 10.1016/0301-0104(89)87044-2
-
(1989)
Chem. Phys.
, vol.130
, pp. 145
-
-
Amarouche, M.1
Gadea, F.X.2
Durup, J.3
-
14
-
-
21644432491
-
-
0301-0104. 10.1016/0301-0104(90)80005-I
-
F. X. Gadea and M. Amarouche, Chem. Phys. 0301-0104 140, 385 (1990). 10.1016/0301-0104(90)80005-I
-
(1990)
Chem. Phys.
, vol.140
, pp. 385
-
-
Gadea, F.X.1
Amarouche, M.2
-
16
-
-
12044260119
-
-
0031-9228. 10.1063/1.881293
-
W. H. Zurek, Phys. Today 0031-9228 44, 36 (1991). 10.1063/1.881293
-
(1991)
Phys. Today
, vol.44
, pp. 36
-
-
Zurek, W.H.1
-
18
-
-
72949118828
-
-
note
-
Note that noninteger charges can still be produced for degenerate adiabatic states; here, for example, in the case of dissocation into three monomers. This is not a real drawback, however, as the noninteger charges can easily be removed by rotations in the electronic state subspace corresponding to the degenerate energy level.
-
-
-
-
19
-
-
36449008654
-
-
0021-9606. 10.1063/1.466051
-
R. A. Aziz, J. Chem. Phys. 0021-9606 99, 4518 (1993). 10.1063/1.466051
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 4518
-
-
Aziz, R.A.1
-
20
-
-
0000749780
-
-
0026-8976. 10.1080/00268978900101821
-
A. K. Dham, A. R. Allnatt, W. J. Meath, and R. A. Aziz, Mol. Phys. 0026-8976 67, 1291 (1989). 10.1080/00268978900101821
-
(1989)
Mol. Phys.
, vol.67
, pp. 1291
-
-
Dham, A.K.1
Allnatt, A.R.2
Meath, W.J.3
Aziz, R.A.4
-
21
-
-
0000563685
-
-
0301-0104. 10.1016/0301-0104(90)89079-6
-
A. K. Dham, W. J. Meath, A. R. Allnatt, R. A. Aziz, and M. J. Slaman, Chem. Phys. 0301-0104 142, 173 (1990). 10.1016/0301-0104(90)89079-6
-
(1990)
Chem. Phys.
, vol.142
, pp. 173
-
-
Dham, A.K.1
Meath, W.J.2
Allnatt, A.R.3
Aziz, R.A.4
Slaman, M.J.5
-
22
-
-
0141888101
-
-
0301-0104. 10.1016/j.chemphys.2003.07.004
-
R. Kalus, I. Paidarová, D. Hrivák, P. Paška, and F. X. Gadea, Chem. Phys. 0301-0104 294, 141 (2003). 10.1016/j.chemphys.2003.07.004
-
(2003)
Chem. Phys.
, vol.294
, pp. 141
-
-
Kalus, R.1
Paidarová, I.2
Hrivák, D.3
Paška, P.4
Gadea, F.X.5
-
23
-
-
0037438338
-
-
0301-0104. 10.1016/S0301-0104(02)00934-5
-
P. Paška, D. Hrivák, and R. Kalus, Chem. Phys. 0301-0104 286, 237 (2003). 10.1016/S0301-0104(02)00934-5
-
(2003)
Chem. Phys.
, vol.286
, pp. 237
-
-
Paška, P.1
Hrivák, D.2
Kalus, R.3
-
24
-
-
72949123193
-
-
note
-
Dependence of fragmentation patterns on the initial vibration excitation of neutrals was discussed in Ref.. The initial excitation of neutrals used in the present calculation slightly overestimates experimental assessments (Ref.) and may by part supply necessary delocalization of the nuclei due to nuclear quantum effects, not explicitly included in the classical Monte Carlo simulation.
-
-
-
-
25
-
-
0035366608
-
A natural decay of mixing algorithm for non-Born-Oppenheimer trajectories
-
DOI 10.1063/1.1368388
-
M. D. Hack and D. G. Truhlar, J. Chem. Phys. 0021-9606 114, 9305 (2001). 10.1063/1.1368388 (Pubitemid 32535599)
-
(2001)
Journal of Chemical Physics
, vol.114
, Issue.21
, pp. 9305-9314
-
-
Hack, M.D.1
Truhlar, D.G.2
-
26
-
-
72949118246
-
-
note
-
j.
-
-
-
-
27
-
-
84987084487
-
-
10.1002/qua.560400830
-
J. C. Tully, Int. J. Quantum Chem. 25, 299 (1991). 10.1002/qua.560400830
-
(1991)
Int. J. Quantum Chem.
, vol.25
, pp. 299
-
-
Tully, J.C.1
-
30
-
-
0000416638
-
-
1089-5639. 10.1021/jp9912049
-
M. D. Hack, A. W. Jasper, Y. L. Volobuev, D. W. Schwenke, and D. Truhlar, J. Phys. Chem. A 1089-5639 103, 6309 (1999). 10.1021/jp9912049
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 6309
-
-
Hack, M.D.1
Jasper, A.W.2
Volobuev, Y.L.3
Schwenke, D.W.4
Truhlar, D.5
-
31
-
-
72949102787
-
-
note
-
As is known from a previous study, the C method does not conserve the total angular momentum of nuclei, even if its initial value is set to zero. We briefly discuss this issue at the end of Sec..
-
-
-
-
33
-
-
72949110320
-
-
note
-
t→0.
-
-
-
-
34
-
-
1942535102
-
-
0021-9606. 10.1063/1.1648306
-
Y. Zhu, S. Nangia, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 0021-9606 120, 5543 (2004). 10.1063/1.1648306
-
(2004)
J. Chem. Phys.
, vol.120
, pp. 5543
-
-
Zhu, Y.1
Nangia, S.2
Jasper, A.W.3
Truhlar, D.G.4
-
35
-
-
8444240480
-
-
0021-9606. 10.1063/1.1793991
-
Y. Zhu, S. Nangia, A. W. Jasper, and D. G. Truhlar, J. Chem. Phys. 0021-9606 121, 7658 (2004). 10.1063/1.1793991
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 7658
-
-
Zhu, Y.1
Nangia, S.2
Jasper, A.W.3
Truhlar, D.G.4
-
36
-
-
0346732487
-
-
0031-9007. 10.1103/PhysRevLett.52.109
-
U. Buck and H. Meyer, Phys. Rev. Lett. 0031-9007 52, 109 (1984). 10.1103/PhysRevLett.52.109
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 109
-
-
Buck, U.1
Meyer, H.2
-
37
-
-
0001654879
-
-
0021-9606. 10.1063/1.449974
-
U. Buck and H. Meyer, J. Chem. Phys. 0021-9606 84, 4854 (1986). 10.1063/1.449974
-
(1986)
J. Chem. Phys.
, vol.84
, pp. 4854
-
-
Buck, U.1
Meyer, H.2
-
38
-
-
0000735771
-
-
0022-3654. 10.1021/j100316a008
-
U. Buck, J. Phys. Chem. 0022-3654 92, 1023 (1988). 10.1021/j100316a008
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 1023
-
-
Buck, U.1
-
39
-
-
0009776695
-
-
edited by G. Scoles (North-Holland, Amsterdam)
-
U. Buck, in The Chemical Physics of Atomic and Molecular Clusters, edited by, G. Scoles, (North-Holland, Amsterdam, 1990), pp. 543-577.
-
(1990)
The Chemical Physics of Atomic and Molecular Clusters
, pp. 543-577
-
-
Buck, U.1
-
40
-
-
34247534394
-
-
edited by R. Campargue (Springer, New York)
-
P. Lohbrandt, R. Galonska, H. J. Kim, M. S. C. Lauenstein, and U. Buck, in Atomic and Molecular Beams. The State of the Art 2000, edited by, R. Campargue, (Springer, New York, 2001), p. 623.
-
(2001)
Atomic and Molecular Beams. the State of the Art 2000
, pp. 623
-
-
Lohbrandt, P.1
Galonska, R.2
Kim, H.J.3
Lauenstein, M.S.C.4
Buck, U.5
-
41
-
-
0005446239
-
-
R. Baumfalk, U. Buck, C. Frischkorn, S. R. Gandhi, and C. Lauenstein, Ber. Bunsen-Ges. Phys. Chem. 101, 606 (1997).
-
(1997)
Ber. Bunsen-Ges. Phys. Chem.
, vol.101
, pp. 606
-
-
Baumfalk, R.1
Buck, U.2
Frischkorn, C.3
Gandhi, S.R.4
Lauenstein, C.5
-
42
-
-
23944514136
-
n, =3 to 14: A realistic multisurface dynamical study
-
DOI 10.1063/1.1953530, 054316
-
D. Bonhommeau, A. Viel, and N. Halberstadt, J. Chem. Phys. 0021-9606 123, 054316 (2005). 10.1063/1.1953530 (Pubitemid 41203894)
-
(2005)
Journal of Chemical Physics
, vol.123
, Issue.5
, pp. 1-13
-
-
Bonhommeau, D.1
Viel, A.2
Halberstadt, N.3
-
44
-
-
0034319757
-
Interatomic Coulombic decay in van der Waals clusters and impact of nuclear motion
-
DOI 10.1103/PhysRevLett.85.4490
-
R. Santra, J. Zobeley, L. S. Cederbaum, and N. Moiseyev, Phys. Rev. Lett. 0031-9007 85, 4490 (2000). 10.1103/PhysRevLett.85.4490 (Pubitemid 32024873)
-
(2000)
Physical Review Letters
, vol.85
, Issue.21
, pp. 4490-4493
-
-
Santra, R.1
Zobeley, J.2
Cederbaum, L.S.3
Moiseyev, N.4
-
45
-
-
0036655459
-
-
1050-2947. 10.1103/PhysRevA.66.012707
-
P. L. Bartlett and A. T. Stelbovits, Phys. Rev. A 1050-2947 66, 012707 (2002). 10.1103/PhysRevA.66.012707
-
(2002)
Phys. Rev. A
, vol.66
, pp. 012707
-
-
Bartlett, P.L.1
Stelbovits, A.T.2
-
49
-
-
72949112394
-
-
note
-
Following the settings of Ref., the zero of energy is identified with the fully dissociate state Rg+ +Rg+Rg with the spin-orbit coupling neglected and, consequently, the energy of Rg+ (P2 3/2) +Rg+Rg corresponds then to -1/3 of the energy splitting between Rg+ (P2 3/2) and Rg+ (P2 1/2) induced by the spin-orbit interaction.
-
-
-
-
50
-
-
0037090392
-
-
0301-0104. 10.1016/S0301-0104(02)00371-3
-
R. Kalus and D. Hrivák, Chem. Phys. 0301-0104 278, 21 (2002). 10.1016/S0301-0104(02)00371-3
-
(2002)
Chem. Phys.
, vol.278
, pp. 21
-
-
Kalus, R.1
Hrivák, D.2
-
51
-
-
3342902068
-
-
0031-9007. 10.1103/PhysRevLett.62.241
-
J. Jellinek and D. H. Li, Phys. Rev. Lett. 0031-9007 62, 241 (1989). 10.1103/PhysRevLett.62.241
-
(1989)
Phys. Rev. Lett.
, vol.62
, pp. 241
-
-
Jellinek, J.1
Li, D.H.2
-
52
-
-
72949095400
-
-
note
-
In general, quenching is quite rare for the C method due to algorithm constraints and typically a few (up to ten) electronic hops are detected within the 100 ps time window. For a few trajectories, however, the hop frequency exceeds 100 hops per 100 ps, which eventually leads to a perceptible break of the nuclear angular momentum conservation for these anomalous trajectories.
-
-
-
-
53
-
-
0030602373
-
-
0009-2614. 10.1016/0009-2614(95)01356-3
-
A. Bastida, N. Halberstadt, J. A. Beswick, F. X. Gad́a, U. Buck, R. Galonska, and C. Lauenstein, Chem. Phys. Lett. 0009-2614 249, 1 (1996). 10.1016/0009-2614(95)01356-3
-
(1996)
Chem. Phys. Lett.
, vol.249
, pp. 1
-
-
Bastida, A.1
Halberstadt, N.2
Beswick, J.A.3
Gad́a, F.X.4
Buck, U.5
Galonska, R.6
Lauenstein, C.7
|