195 research outputs found
A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces
No full textManthe U. A multilayer multiconfigurational time-dependent Hartree approach for quantum dynamics on general potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 2008;128(16): 164116
Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces
No full textManthe U, Köppel H. Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces. CHEMICAL PHYSICS LETTERS. 1991;178(1):36-42
Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior
No full textManthe U, Köppel H. Dynamics on potential energy surfaces with a conical intersection: Adiabatic, intermediate, and diabatic behavior. JOURNAL OF CHEMICAL PHYSICS. 1990;93(3):1658-1669
Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces
No full textEvenhuis CR, Manthe U. Calculating vibrational spectra using modified Shepard interpolated potential energy surfaces. JOURNAL OF CHEMICAL PHYSICS. 2008;129(2): 24104
Full-dimensional quantum study of the vibrational predissociation of the I2Ne2 cluster
No full textMeier C, Manthe U. Full-dimensional quantum study of the vibrational predissociation of the I2Ne2 cluster. JOURNAL OF CHEMICAL PHYSICS. 2001;115(12):5477-5484
New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis
No full textManthe U, Köppel H. New method for calculating wave packet dynamics: Strongly coupled surfaces and the adiabatic basis. JOURNAL OF CHEMICAL PHYSICS. 1990;93(1):345-356
A time-dependent discrete variable representation for (multiconfiguration) Hartree methods
No full textManthe U. A time-dependent discrete variable representation for (multiconfiguration) Hartree methods. JOURNAL OF CHEMICAL PHYSICS. 1996;105(16):6989-6994
Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states
No full textManthe U. Comment on: A multiconfiguration time-dependent Hartree approximation based on natural single particle states. JOURNAL OF CHEMICAL PHYSICS. 1994;101(3):2652-2653
A new time-dependent approach to the direct calculation of reaction rates
No full textManthe U. A new time-dependent approach to the direct calculation of reaction rates. JOURNAL OF CHEMICAL PHYSICS. 1995;102(23):9205-9213
The state averaged multiconfigurational time-dependent Hartree approach: Vibrational state and reaction rate calculations
No full textManthe U. The state averaged multiconfigurational time-dependent Hartree approach: Vibrational state and reaction rate calculations. JOURNAL OF CHEMICAL PHYSICS. 2008;128(6): 64108
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