Abstract
A basis expansion of a quantum state of a molecule in a small orthogonal set of dynamically motivated, active bright states is presented and tested. The active bright states are derived from wavepackets (in a discrete variable representation) corresponding to different times in the time evolution of the molecule in a specified external laser field. Time evolution using the active bright-state representation is computationally less intensive and contains the essential dynamics in the quasiharmonic, quasicontinuum, and continuum regimes. Knowledge of the exact molecular spectroscopy is not needed. The active bright-state representation is thus well suited for optimal-control calculations which require a large number of wavepacket propagations.
| Original language | English |
|---|---|
| Pages (from-to) | 161-167 |
| Number of pages | 7 |
| Journal | Chemical Physics Letters |
| Volume | 239 |
| Issue number | 1-3 |
| DOIs | |
| Publication status | Published - Jun 9 1995 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Physics and Astronomy(all)
Cite this
Bright-state expansion and optimal control of highly excited polyatomics. / Kaluža, Matjaž; Muckerman, James.
In: Chemical Physics Letters, Vol. 239, No. 1-3, 09.06.1995, p. 161-167.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Bright-state expansion and optimal control of highly excited polyatomics
AU - Kaluža, Matjaž
AU - Muckerman, James
PY - 1995/6/9
Y1 - 1995/6/9
N2 - A basis expansion of a quantum state of a molecule in a small orthogonal set of dynamically motivated, active bright states is presented and tested. The active bright states are derived from wavepackets (in a discrete variable representation) corresponding to different times in the time evolution of the molecule in a specified external laser field. Time evolution using the active bright-state representation is computationally less intensive and contains the essential dynamics in the quasiharmonic, quasicontinuum, and continuum regimes. Knowledge of the exact molecular spectroscopy is not needed. The active bright-state representation is thus well suited for optimal-control calculations which require a large number of wavepacket propagations.
AB - A basis expansion of a quantum state of a molecule in a small orthogonal set of dynamically motivated, active bright states is presented and tested. The active bright states are derived from wavepackets (in a discrete variable representation) corresponding to different times in the time evolution of the molecule in a specified external laser field. Time evolution using the active bright-state representation is computationally less intensive and contains the essential dynamics in the quasiharmonic, quasicontinuum, and continuum regimes. Knowledge of the exact molecular spectroscopy is not needed. The active bright-state representation is thus well suited for optimal-control calculations which require a large number of wavepacket propagations.
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UR - http://www.scopus.com/inward/citedby.url?scp=0001107104&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(95)00454-C
DO - 10.1016/0009-2614(95)00454-C
M3 - Article
AN - SCOPUS:0001107104
VL - 239
SP - 161
EP - 167
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 1-3
ER -