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Direct quantum dynamics using variational multi-configuration Gaussian wavepackets
B Lasorne
, MJ Bearpark
, MA Robb
, Graham Worth
Chemistry
Research output
:
Contribution to journal
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Article
38
Citations (Scopus)
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Keyphrases
Variational
100%
Gaussian Wave Packet
100%
Quantum Dynamics
100%
Multi-configuration
100%
Photodissociation
50%
Potential Energy
50%
Quantum Calculations
50%
Quantum Effects
50%
Large Molecules
50%
Cartesian Coordinates
50%
Photochemistry
50%
Quantum Chemical Computation
50%
Quantum Chemical Calculations
50%
Nitrosyl Chloride
50%
Full Quantum
50%
Chemistry
Quantum Dynamics
100%
Gaussian Distribution
100%
Photodissociation
50%
Potential Energy
50%
Photochemical Reaction
50%
Quantum Chemical Calculations
50%