G
Graham A. Worth
Researcher at University College London
Publications - 132
Citations - 8963
Graham A. Worth is an academic researcher from University College London. The author has contributed to research in topics: Quantum dynamics & Excited state. The author has an hindex of 38, co-authored 124 publications receiving 8140 citations. Previous affiliations of Graham A. Worth include Heidelberg University & University of Birmingham.
Papers
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The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets
TL;DR: In this article, a review of the multiconfiguration time-dependent Hartree (MCTDH) method for propagating wavepackets is given, and the formal derivation, numerical implementation, and performance of the method are detailed.
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Beyond Born-Oppenheimer: molecular dynamics through a conical intersection.
TL;DR: The basic theory required to understand and describe conical, and related, intersections is reviewed and an example is given using wavepacket dynamics simulations to demonstrate the prototypical features of how a molecular system passes through a conical intersection.
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Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method
TL;DR: In this paper, the authors review the basic theory of the MCTDH and present a method for treating the time-evolution of density operators, which has been shown that it is able to treat systems much larger than other wave-packet propagation methods.
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Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian
TL;DR: In this article, a realistic model Hamiltonian including all 24 vibrational modes of the pyrazine molecule was presented, which determined the potential energy surfaces of the lowest two excited states, S1 and S2, which are strongly coupled to each other.