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CCP6 Renewal: Developing Quantum Dynamics for Large Systems
Worth, Graham
(Principal Investigator)
Chemistry
Overview
Fingerprint
Research output
(4)
Research output
Research output per year
2008
2008
2010
2010
3
Article
1
Review article
Research output per year
Research output per year
3 results
Publication Year, Title
(descending)
Publication Year, Title
(ascending)
Title
Type
Filter
Article
Search results
2010
Converged quantum dynamics with modified Shepard interpolation and Gaussian wave packets
Frankcombe, TJ.
,
Collins, MA.
&
Worth, G.
,
1 Apr 2010
,
In:
Chemical Physics Letters.
489
,
4-6
,
p. 242-247
6 p.
Research output
:
Contribution to journal
›
Article
Wave Packet
100%
wave packets
65%
interpolation
64%
Photodissociation
24%
photodissociation
22%
31
Citations (Scopus)
Exploring the sloped-to-peaked S-2/S-1 seam of intersection of thymine with electronic structure and direct quantum dynamics calculations
Asturiol, D.
,
Lasorne, B.
,
Worth, G.
,
Robb, MA.
&
Blancafort, L.
,
1 Jan 2010
,
In:
Physical Chemistry Chemical Physics.
12
,
19
,
p. 4949-4958
10 p.
Research output
:
Contribution to journal
›
Article
Thymine
100%
Head
54%
Population
29%
72
Citations (Scopus)
2008
Multimode quantum dynamics using Gaussian wavepackets: The Gaussian-based multiconfiguration time-dependent Hartree (G-MCTDH) method applied to the absorption spectrum of pyrazine
Burghardt, I.
,
Giri, K.
&
Worth, G.
,
1 Nov 2008
,
In:
Journal of Chemical Physics.
129
,
17
,
p. 174104
1 p.
Research output
:
Contribution to journal
›
Article
pyrazines
100%
Pyrazine
75%
absorption spectra
50%
Absorption Spectrum
49%
Vibronic Coupling
47%
126
Citations (Scopus)