-
1
-
-
84946347430
-
A study of the diabatic electronic representation within the Born- Oppenheimer approximation
-
M. Baer and R. Englman, A study of the diabatic electronic representation within the Born- Oppenheimer approximation, Mol. Phys., 75 (1992), pp. 293-303.
-
(1992)
Mol. Phys.
, vol.75
, pp. 293-303
-
-
Baer, M.1
Englman, R.2
-
2
-
-
0037138007
-
On the time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
-
W. Bao, S. Jin, and P. Markowich, On the time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime, J. Comput. Phys., 175 (2002), pp. 487- 524.
-
(2002)
J. Comput. Phys.
, vol.175
, pp. 487-524
-
-
Bao, W.1
Jin, S.2
Markowich, P.3
-
3
-
-
84973654655
-
Zur quantentheorie der molekeln
-
M. Born and R. Oppenheimer, Zur Quantentheorie der Molekeln, Ann. Phys., 84 (1927), pp. 457-484.
-
(1927)
Ann. Phys.
, vol.84
, pp. 457-484
-
-
Born, M.1
Oppenheimer, R.2
-
4
-
-
0000854410
-
Chemical reaction dynamics beyond the Born-Oppenheimer approximation
-
L. J. Butler, Chemical reaction dynamics beyond the Born-Oppenheimer approximation, Annu. ReV. Phys. Chem., 49 (1998), pp. 125-171. (Pubitemid 128436888)
-
(1998)
Annual Review of Physical Chemistry
, vol.49
, Issue.1
, pp. 125-171
-
-
Butler, L.J.1
-
5
-
-
0002077773
-
The Born-Oppenheimer approximation
-
G. Velo and A. Wightman, eds. Plenum Press, New York
-
J.-M. Combes, P. Duclos, and R. Seiler, The Born-Oppenheimer approximation, in Rigorous Atomic and Molecular Physics, G. Velo and A. Wightman, eds., Plenum Press, New York, 1981, pp. 185-212.
-
(1981)
Rigorous Atomic and Molecular Physics
, pp. 185-212
-
-
Combes, J.-M.1
Duclos, P.2
Seiler, R.3
-
6
-
-
0000341962
-
Basics of surface hopping in mixed quantum/classical simulations
-
K. Drukker, Basics of surface hopping in mixed quantum/classical simulations, J. Comput. Phys., 153 (1999), pp. 225-272.
-
(1999)
J. Comput. Phys.
, vol.153
, pp. 225-272
-
-
Drukker, K.1
-
7
-
-
0003332429
-
Harmonic analysis in phase space
-
Princeton University Press, Princeton, NJ
-
G. Folland, Harmonic Analysis in Phase Space, Ann. of Math. Stud. 122, Princeton University Press, Princeton, NJ, 1989.
-
(1989)
Ann. of Math. Stud.
, vol.122
-
-
Folland, G.1
-
8
-
-
0039658608
-
Homogenization limits and Wigner transforms
-
P. Gérard, P. A. Markowich, N. J. Mauser, and F. Poupaud, Homogenization limits and Wigner transforms, Comm. Pure Appl. Math., 50 (1997), pp. 323-379. (Pubitemid 127383077)
-
(1997)
Communications on Pure and Applied Mathematics
, vol.50
, Issue.4
, pp. 323-379
-
-
Gerard, P.1
Markowich, P.A.2
Mauser, N.J.3
Poupaud, F.4
-
9
-
-
0002241894
-
A time dependent Born-Oppenheimer approximation
-
G. Hagedorn, A time dependent Born-Oppenheimer approximation, Comm. Math. Phys., 77 (1980), pp. 1-19.
-
(1980)
Comm. Math. Phys.
, vol.77
, pp. 1-19
-
-
Hagedorn, G.1
-
10
-
-
0007011683
-
High order corrections to the time-independent Born-Oppenheimer approximation I: Smooth potentials
-
G. Hagedorn, High order corrections to the time-independent Born-Oppenheimer approximation I: Smooth potentials, Ann. Inst. H. Poincaré Sect. A, 47 (1987), pp. 1-19.
-
(1987)
Ann. Inst. H. Poincaré Sect. A
, vol.47
, pp. 1-19
-
-
Hagedorn, G.1
-
11
-
-
0001118605
-
Molecular propagation through electron energy level crossings
-
American Mathematical Society, Providence, RI
-
G. Hagedorn, Molecular Propagation through Electron Energy Level Crossings, Mem. Amer. Math. Soc. 111, American Mathematical Society, Providence, RI, 1994.
-
(1994)
Mem. Amer. Math. Soc.
, vol.111
-
-
Hagedorn, G.1
-
12
-
-
0035540307
-
A time-dependent Born-Oppenheimer approximation with exponentially small error estimates
-
G. A. Hagedorn and A. Joye, A time-dependent Born-Oppenheimer approximation with exponentially small error estimates, Comm. Math. Phys., 223 (2001), pp. 583-626.
-
(2001)
Comm. Math. Phys.
, vol.223
, pp. 583-626
-
-
Hagedorn, G.A.1
Joye, A.2
-
13
-
-
36749113388
-
Frozen Gaussians: A very simple semiclassical approximation
-
E. J. Heller, Frozen Gaussians: A very simple semiclassical approximation, J. Chem. Phys., 75 (1981), pp. 2923-2931.
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 2923-2931
-
-
Heller, E.J.1
-
14
-
-
0037461490
-
Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets
-
I. Horenko, C. Salzmann, B. Schmidt, and C. Schütte, Quantum-classical Liouville approach to molecular dynamics: Surface hopping Gaussian phase-space packets, J. Chem. Phys., 117 (2002), pp. 11075-11088.
-
(2002)
J. Chem. Phys.
, vol.117
, pp. 11075-11088
-
-
Horenko, I.1
Salzmann, C.2
Schmidt, B.3
Schütte, C.4
-
15
-
-
34548683732
-
A Hamiltonian-preserving scheme for high frequency elastic waves inheterogeneous media
-
S. Jin and X. Liao, A Hamiltonian-preserving scheme for high frequency elastic waves inheterogeneous media, J. Hyperbolic Differ. Equ., 3 (2006), pp. 741-777.
-
(2006)
J. Hyperbolic Differ. Equ.
, vol.3
, pp. 741-777
-
-
Jin, S.1
Liao, X.2
-
16
-
-
34548686622
-
A semiclassical transport model for thin quantum barriers
-
DOI 10.1137/060653214
-
S. Jin and L. Novak, A semiclassical transport model for thin quantum barriers, Multiscale Model Simul., 5 (2006), pp. 1063-1086. (Pubitemid 350285615)
-
(2006)
Multiscale Modeling and Simulation
, vol.5
, Issue.4
, pp. 1063-1086
-
-
Jin, S.1
Novak, K.A.2
-
17
-
-
77954748545
-
A coherent semiclassical transport model for pure-state quantum scattering
-
S. Jin and K. Novak, A coherent semiclassical transport model for pure-state quantum scattering, Commun. Math. Sci., 8 (2010), pp. 253-275.
-
(2010)
Commun. Math. Sci.
, vol.8
, pp. 253-275
-
-
Jin, S.1
Novak, K.2
-
18
-
-
57849152968
-
Computation of high frequency wave diffraction by a half plane via the Liouville equation and geometric theory of diffraction
-
S. Jin and D. Yin, Computation of high frequency wave diffraction by a half plane via the Liouville equation and geometric theory of diffraction, Commun. Comput. Phys., 4 (2008), pp. 1106-1128.
-
(2008)
Commun. Comput. Phys.
, vol.4
, pp. 1106-1128
-
-
Jin, S.1
Yin, D.2
-
19
-
-
34548672178
-
A Hamiltonian-preserving scheme for the Liouville equation of geometrical optics with partial transmissions and reflections
-
DOI 10.1137/050631343
-
S. Jin and X. Wen, A Hamiltonian-preserving scheme for the Liouville equation of geometrical optics with transmissions and reflections, SIAM J. Numer. Anal., 44 (2006), pp. 1801-1828. (Pubitemid 350012041)
-
(2006)
SIAM Journal on Numerical Analysis
, vol.44
, Issue.5
, pp. 1801-1828
-
-
Jin, S.1
Wen, X.2
-
20
-
-
33644957151
-
Hamiltonian-preserving schemes for the Liouville equation with discontinuous potentials
-
S. Jin and X. Wen, Hamiltonian-preserving schemes for the Liouville equation with discontinuous potentials, Commun. Math. Sci., 3 (2005), pp. 285-315.
-
(2005)
Commun. Math. Sci.
, vol.3
, pp. 285-315
-
-
Jin, S.1
Wen, X.2
-
21
-
-
33749590992
-
Computation of transmissions and reflections in geometrical optics via the reduced Liouville equation
-
DOI 10.1016/j.wavemoti.2006.06.001, PII S0165212506000485
-
S. Jin and X. Wen, Computation of transmissions and reflections in geometrical optics via the reduced Liouville equation, Wave Motion, 43 (2006), pp. 667-688. (Pubitemid 44542505)
-
(2006)
Wave Motion
, vol.43
, Issue.8
, pp. 667-688
-
-
Jin, S.1
Wen, X.2
-
22
-
-
0037324071
-
Wigner measures and codimension two crossings
-
DOI 10.1063/1.1527221
-
C. F. Kammerer and C. Lasser, Wigner measures and codimension two crossings, J. Math. Phys., 44 (2003), pp. 507-527. (Pubitemid 36229106)
-
(2003)
Journal of Mathematical Physics
, vol.44
, Issue.2
, pp. 507-527
-
-
Kammerer, C.F.1
Lasser, C.2
-
23
-
-
42149182335
-
Single switch surface hopping for molecular dynamics with transitions
-
C. F. Kammerer and C. Lasser, Single switch surface hopping for molecular dynamics with transitions, J. Chem. Phys., 128 (2008), pp. 5-9.
-
(2008)
J. Chem. Phys.
, vol.128
, pp. 5-9
-
-
Kammerer, C.F.1
Lasser, C.2
-
24
-
-
0001412929
-
On the Born-Oppenheimer expansion for polyatomic molecules
-
M. Klein, A. Martinez, R. Seiler, and X. P. Wang, On the Born-Oppenheimer expansion for polyatomic molecules, Comm. Math. Phys., 143 (1992), pp. 607-639.
-
(1992)
Comm. Math. Phys.
, vol.143
, pp. 607-639
-
-
Klein, M.1
Martinez, A.2
Seiler, R.3
Wang, X.P.4
-
25
-
-
59149086364
-
Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
-
S. Kube, C. Lasser, and M. Weber, Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics, J. Comput. Phys., 228 (2009), pp. 1947-1962.
-
(2009)
J. Comput. Phys.
, vol.228
, pp. 1947-1962
-
-
Kube, S.1
Lasser, C.2
Weber, M.3
-
26
-
-
0002636472
-
Zur theorie der energieubertragung, II
-
L. Landau, Zur theorie der Energieubertragung, II. Phys. of the Soviet Union, 2 (1932), pp. 46- 51.
-
(1932)
Phys. of the Soviet Union
, vol.2
, pp. 46-51
-
-
Landau, L.1
-
29
-
-
39049111633
-
Construction and validation of a rigorous surface hopping algorithm for conical crossings
-
C. Lasser, T. Swart, and S. Teufel, Construction and validation of a rigorous surface hopping algorithm for conical crossings, Commun. Math. Sci., 5 (2007), pp. 789-814.
-
(2007)
Commun. Math. Sci.
, vol.5
, pp. 789-814
-
-
Lasser, C.1
Swart, T.2
Teufel, S.3
-
30
-
-
25444450804
-
Propagation through conical crossings: An asymptotic semigroup
-
DOI 10.1002/cpa.20087
-
C. Lasser and S. Teufel, Propagation through conical crossings: An asymptotic semigroup, Comm. Pure Appl. Math., 58 (2005), pp. 1188-1230. (Pubitemid 41366832)
-
(2005)
Communications on Pure and Applied Mathematics
, vol.58
, Issue.9
, pp. 1188-1230
-
-
Lasser, C.1
Teufel, S.2
-
33
-
-
0000689893
-
A generalized surface hopping method
-
DOI 10.1063/1.477416, PII S0021960698003420
-
D. Sholl and J. Tully, A generalized surface hopping method, J. Chem. Phys., 109 (1998), pp. 7702-7710. (Pubitemid 128678341)
-
(1998)
Journal of Chemical Physics
, vol.109
, Issue.18
, pp. 7702-7710
-
-
Sholl, D.S.1
Tully, J.C.2
-
34
-
-
0035539929
-
Adiabatic decoupling and time-dependent Born-Oppenheimer theory
-
H. Spohn and S. Teufel, Adiabatic decoupling and time-dependent Born-Oppenheimer theory, Comm. Math. Phys. 224 (2001), pp. 113-132.
-
(2001)
Comm. Math. Phys.
, vol.224
, pp. 113-132
-
-
Spohn, H.1
Teufel, S.2
-
35
-
-
0040598973
-
Interference-effect in the laser-induced desorption of small molecules from surface: A model study
-
S. Thiel, T. Kluner, and H. J. Freund, Interference-effect in the laser-induced desorption of small molecules from surface: A model study, Chem. Phys., 236 (1998), pp. 263-276.
-
(1998)
Chem. Phys.
, vol.236
, pp. 263-276
-
-
Thiel, S.1
Kluner, T.2
Freund, H.J.3
-
37
-
-
13044304431
-
Molecular dynamics with electronic transitions
-
J. Tully, Molecular dynamics with electronic transitions, J. Chem. Phys., 93 (1990), pp. 1061- 1071.
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 1061-1071
-
-
Tully, J.1
-
38
-
-
11644308371
-
Trajectory surface hopping study of the Li + Li2 (X1S+ g ) dissociation reaction
-
A. Voronin, J. Marques, and A. Varandas, Trajectory surface hopping study of the Li + Li2 (X1S+ g ) dissociation reaction, J. Phys. Chem. A, 102 (1998), pp. 6057-6026.
-
(1998)
J. Phys. Chem. A
, vol.102
, pp. 6057-6026
-
-
Voronin, A.1
Marques, J.2
Varandas, A.3
-
39
-
-
33745014742
-
On the quantum correction for thermodynamic equilibrium
-
E. Wigner, On the quantum correction for thermodynamic equilibrium, Phys. ReV., 40 (1932), pp. 749-759.
-
(1932)
Phys. ReV.
, vol.40
, pp. 749-759
-
-
Wigner, E.1
-
40
-
-
3342939360
-
Beyond Born-Oppenheimer: Molecular dynamics through a conical intersection
-
G. Worth and L. Cederbaum, Beyond Born-Oppenheimer: Molecular dynamics through a conical intersection, Annu. ReV. Phys. Chem., 55 (2004), pp. 127-158.
-
(2004)
Annu. ReV. Phys. Chem.
, vol.55
, pp. 127-158
-
-
Worth, G.1
Cederbaum, L.2
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