Journal article
Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamics.
- Abstract:
-
The maximum entropy analytic continuation (MEAC) and ring polymer molecular dynamics (RPMD) methods provide complementary approaches to the calculation of real time quantum correlation functions. RPMD becomes exact in the high temperature limit, where the thermal time betavariant Planck's over 2pi tends to zero and the ring polymer collapses to a single classical bead. MEAC becomes most reliable at low temperatures, where betavariant Planck's over 2pi exceeds the correlation time of interest ...
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- Publication status:
- Published
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- Publisher copy:
- 10.1063/1.2786451
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Authors
Bibliographic Details
- Journal:
- Journal of chemical physics
- Volume:
- 127
- Issue:
- 17
- Pages:
- 174108
- Publication date:
- 2007-11-01
- DOI:
- EISSN:
-
1089-7690
- ISSN:
-
0021-9606
- Source identifiers:
-
34039
Item Description
- Language:
- English
- Pubs id:
-
pubs:34039
- UUID:
-
uuid:4e622558-2138-42c4-b5d6-8207a0f8a319
- Local pid:
- pubs:34039
- Deposit date:
- 2012-12-19
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- Copyright date:
- 2007
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