A generalised 17-state vibronic-coupling Hamiltonian model for ethylene

Ultrafast internal conversion in ethylene. II. Mechanisms and pathways for quenching and hydrogen elimination

(2012) T. K. Allison et al.   JOURNAL OF CHEMICAL PHYSICS

On the representation of coupled adiabatic potential energy surfaces using quasi-diabatic Hamiltonians: A distributed origins expansion approach

(2012) Xiaolei Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm

(2012) Loïc Joubert-Doriol et al.   Computational and Theoretical Chemistry

Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30–45]

(2011) B. Lasorne et al.   CHEMICAL PHYSICS

A scheme to interpolate potential energy surfaces and derivative coupling vectors without performing a global diabatization

(2011) Christian Evenhuis et al.   JOURNAL OF CHEMICAL PHYSICS

On the construction of quasidiabatic state representations of bound adiabatic state potential energy surfaces coupled by accidental conical intersections: Incorporation of higher order terms

(2011) Joseph Dillon et al.   JOURNAL OF CHEMICAL PHYSICS

Ultrafast internal conversion in ethylene. I. The excited state lifetime

(2011) H. Tao et al.   JOURNAL OF CHEMICAL PHYSICS

Role of Rydberg States in the Photochemical Dynamics of Ethylene

(2011) Toshifumi Mori et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Excited-state dynamics

(2011) Benjamin Lasorne et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method

(2011) Hans-Dieter Meyer   Wiley Interdisciplinary Reviews-Computational Molecular Science

The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation

(2010) B. Lasorne et al.   CHEMICAL PHYSICS

Toward eliminating the electronic structure bottleneck in nonadiabatic dynamics on the fly: An algorithm to fit nonlocal, quasidiabatic, coupled electronic state Hamiltonians based on ab initio electronic structure data

(2010) Xiaolei Zhu et al.   JOURNAL OF CHEMICAL PHYSICS

Strategies for advanced applications of permutation–inversion groups to the microwave spectra of molecules with large amplitude motions

(2009) Jon T. Hougen   JOURNAL OF MOLECULAR SPECTROSCOPY

Ab Initio Multiple Spawning Dynamics Using Multi-State Second-Order Perturbation Theory

(2009) Hongli Tao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach

(2009) Fabien Gatti et al.   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Implementation of ab initio multiple spawning in the Molpro quantum chemistry package

(2008) Benjamin G. Levine et al.   CHEMICAL PHYSICS

Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics

(2008) G. A. Worth et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method

(2008) Loïc Joubert Doriol et al.   JOURNAL OF CHEMICAL PHYSICS

Determining quasidiabatic coupled electronic state Hamiltonians using derivative couplings: A normal equations based method

(2008) Brian N. Papas et al.   JOURNAL OF CHEMICAL PHYSICS

On the nature of the π → π* ionic excited states: The V state of ethene as a prototype

(2008) Celestino Angeli   JOURNAL OF COMPUTATIONAL CHEMISTRY

Ultrafast Dynamics and Coherent Oscillations in Ethylene and Ethylene-d4Excited at 162 nm

(2008) K. Kosma et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Solving the time-dependent Schrödinger equation for nuclear motion in one step: direct dynamics of non-adiabatic systems

(2008) G.A. Worth et al.   MOLECULAR PHYSICS