Effects of higher order Jahn-Teller coupling on the nuclear dynamics

Viel A, Eisfeld W (2004)
JOURNAL OF CHEMICAL PHYSICS 120(10): 4603-4613.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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DOI
Autor*in
Viel, A; Eisfeld, WolfgangUniBi
Einrichtung
Fakultät für Chemie > Theoretische Chemie
Erscheinungsjahr
2004
Zeitschriftentitel
JOURNAL OF CHEMICAL PHYSICS
Band
120
Ausgabe
10
Seite(n)
4603-4613
ISSN
0021-9606
Page URI
https://pub.uni-bielefeld.de/record/2339030

Zitieren

Viel A, Eisfeld W. Effects of higher order Jahn-Teller coupling on the nuclear dynamics. JOURNAL OF CHEMICAL PHYSICS. 2004;120(10):4603-4613.
Viel, A., & Eisfeld, W. (2004). Effects of higher order Jahn-Teller coupling on the nuclear dynamics. JOURNAL OF CHEMICAL PHYSICS, 120(10), 4603-4613. https://doi.org/10.1063/1.1646371
Viel, A, and Eisfeld, Wolfgang. 2004. “Effects of higher order Jahn-Teller coupling on the nuclear dynamics”. JOURNAL OF CHEMICAL PHYSICS 120 (10): 4603-4613.
Viel, A., and Eisfeld, W. (2004). Effects of higher order Jahn-Teller coupling on the nuclear dynamics. JOURNAL OF CHEMICAL PHYSICS 120, 4603-4613.
Viel, A., & Eisfeld, W., 2004. Effects of higher order Jahn-Teller coupling on the nuclear dynamics. JOURNAL OF CHEMICAL PHYSICS, 120(10), p 4603-4613.
A. Viel and W. Eisfeld, “Effects of higher order Jahn-Teller coupling on the nuclear dynamics”, JOURNAL OF CHEMICAL PHYSICS, vol. 120, 2004, pp. 4603-4613.
Viel, A., Eisfeld, W.: Effects of higher order Jahn-Teller coupling on the nuclear dynamics. JOURNAL OF CHEMICAL PHYSICS. 120, 4603-4613 (2004).
Viel, A, and Eisfeld, Wolfgang. “Effects of higher order Jahn-Teller coupling on the nuclear dynamics”. JOURNAL OF CHEMICAL PHYSICS 120.10 (2004): 4603-4613.

36 Zitationen in Europe PMC

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General formalism for vibronic Hamiltonians in tetragonal symmetry and beyond.
Hickman RJ, Lang RA, Zeng T., Phys Chem Chem Phys 20(17), 2018
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Permutation invariant polynomial neural network approach to fitting potential energy surfaces. IV. Coupled diabatic potential energy matrices.
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Wang Y, Yarkony DR., J Chem Phys 149(15), 2018
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Zeng T, Seidu I., Phys Chem Chem Phys 19(18), 2017
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An extended E⊗e Jahn-Teller Hamiltonian for large-amplitude motion: Application to vibrational conical intersections in CH3SH and CH3OH.
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Neural network based coupled diabatic potential energy surfaces for reactive scattering.
Lenzen T, Manthe U., J Chem Phys 147(8), 2017
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Construction of diabatic energy surfaces for LiFH with artificial neural networks.
Guan Y, Fu B, Zhang DH., J Chem Phys 147(22), 2017
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Development of multi-mode diabatic spin-orbit models at arbitrary order.
Weike T, Eisfeld W., J Chem Phys 144(10), 2016
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Block-diagonalization as a tool for the robust diabatization of high-dimensional potential energy surfaces.
Venghaus F, Eisfeld W., J Chem Phys 144(11), 2016
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A new approach for the development of diabatic potential energy surfaces: Hybrid block-diagonalization and diabatization by ansatz.
Wittenbrink N, Venghaus F, Williams D, Eisfeld W., J Chem Phys 145(18), 2016
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Jet cooled cavity ringdown spectroscopy of the Ã(2)E(″)←X˜(2)A2 (') transition of the NO3 radical.
Codd T, Chen MW, Roudjane M, Stanton JF, Miller TA., J Chem Phys 142(18), 2015
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Full-dimensional diabatic potential energy surfaces including dissociation: the ²E″ state of NO₃.
Eisfeld W, Vieuxmaire O, Viel A., J Chem Phys 140(22), 2014
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Interpolation of multi-sheeted multi-dimensional potential-energy surfaces via a linear optimization procedure.
Opalka D, Domcke W., J Chem Phys 138(22), 2013
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Reaction surface approach to multimode vibronic coupling problems: general framework and application to furan.
Gromov EV, Sivaranjana Reddy V, Gatti F, Köppel H., J Chem Phys 139(23), 2013
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A new method to generate spin-orbit coupled potential energy surfaces: effective relativistic coupling by asymptotic representation.
Ndome H, Welsch R, Eisfeld W., J Chem Phys 136(3), 2012
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Role of conical intersections in molecular spectroscopy and photoinduced chemical dynamics.
Domcke W, Yarkony DR., Annu Rev Phys Chem 63(), 2012
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Ab initio study of dynamical E × e Jahn-Teller and spin-orbit coupling effects in the transition-metal trifluorides TiF3, CrF3, and NiF3.
Mondal P, Opalka D, Poluyanov LV, Domcke W., J Chem Phys 136(8), 2012
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On the representation of coupled adiabatic potential energy surfaces using quasi-diabatic Hamiltonians: a distributed origins expansion approach.
Zhu X, Yarkony DR., J Chem Phys 136(17), 2012
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Computational determination of the à state absorption spectrum of NH3 and of ND3 using a new quasi-diabatic representation of the X and à states and full six-dimensional quantum dynamics.
Zhu X, Ma J, Yarkony DR, Guo H., J Chem Phys 136(23), 2012
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Spin-orbit coupled potential energy surfaces and properties using effective relativistic coupling by asymptotic representation.
Ndome H, Eisfeld W., J Chem Phys 137(6), 2012
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Quasi-diabatic representations of adiabatic potential energy surfaces coupled by conical intersections including bond breaking: a more general construction procedure and an analysis of the diabatic representation.
Zhu X, Yarkony DR., J Chem Phys 137(22), 2012
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On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: incorporation of higher order terms.
Dillon J, Yarkony DR, Schuurman MS., J Chem Phys 134(4), 2011
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On the simulation of photoelectron spectra complicated by conical intersections: higher-order effects and hot bands in the photoelectron spectrum of triazolide (CH)2N3(-).
Dillon J, Yarkony DR, Schuurman MS., J Chem Phys 134(18), 2011
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Relativistic Jahn-Teller effects in the photoelectron spectra of tetrahedral P4, As4, Sb4, and Bi4.
Opalka D, Poluyanov LV, Domcke W., J Chem Phys 135(10), 2011
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High-order expansion of T(2)xt(2) Jahn-Teller potential-energy surfaces in tetrahedral molecules.
Opalka D, Domcke W., J Chem Phys 132(15), 2010
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The simulated photoelectron spectrum of 1-propynide.
Papas BN, Schuurman MS, Yarkony DR., J Chem Phys 130(6), 2009
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On the determination of optimized, fully quadratic, coupled state quasidiabatic Hamiltonians for determining bound state vibronic spectra.
Zhu X, Yarkony DR., J Chem Phys 130(23), 2009
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Determining quasidiabatic coupled electronic state Hamiltonians using derivative couplings: A normal equations based method.
Papas BN, Schuurman MS, Yarkony DR., J Chem Phys 129(12), 2008
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On the simulation of photoelectron spectra in molecules with conical intersections and spin-orbit coupling: the vibronic spectrum of CH3S.
Schuurman MS, Weinberg DE, Yarkony DR., J Chem Phys 127(10), 2007
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Photoionization-induced dynamics of ammonia: ab initio potential energy surfaces and time-dependent wave packet calculations for the ammonia cation.
Viel A, Eisfeld W, Neumann S, Domcke W, Manthe U., J Chem Phys 124(21), 2006
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Towards a highly efficient theoretical treatment of Jahn-Teller effects in molecular spectra: the 1 2A and 2 2A electronic states of the ethoxy radical.
Young RA, Yarkony DR., J Chem Phys 125(23), 2006
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Theoretical study of the photodetachment spectrum of the methylene amidogene anion (H2CN-).
Eisfeld W., Phys Chem Chem Phys 7(5), 2005
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Higher order (A+E) multiply sign in circle e pseudo-Jahn-Teller coupling.
Eisfeld W, Viel A., J Chem Phys 122(20), 2005
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Remarkable impact of intermode couplings on multimode vibronic dynamics: the photoelectron spectrum of CH3F.
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16 References

Daten bereitgestellt von Europe PubMed Central.


AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Pacher, Adv Chem Phys 84(), 1993

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

Köppel, Adv Chem Phys 57(), 1984

Longuet-Higgins, Adv. Spectrosc. 2(), 1961

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0

AUTHOR UNKNOWN, 0
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