TY - GEN
T1 - Design of optimal laser fields to control vibrational excitations in carboxy-myoglobin
AU - Singh, Harjinder
AU - Sharma, Sitansh
AU - Kumar, Praveen
AU - Harvey, Jeremy N.
AU - Balint-Kurti, Gabriel G.
N1 - Copyright:
Copyright 2008 Elsevier B.V., All rights reserved.
PY - 2008
Y1 - 2008
N2 - Optimal control theory is applied to obtain infrared laser pulses for the selective vibrational excitation of a two mathematical dimensional model of carboxy-myoglobin. Density functional theory is used to obtain the potential energy and dipole moment surfaces of the active site model. The Conjugate gradient method is employed to optimize the cost functional and to obtain the optimized laser pulses. Optimized laser fields are found which give virtually 100% excitation probability to preselected vibrational levels.
AB - Optimal control theory is applied to obtain infrared laser pulses for the selective vibrational excitation of a two mathematical dimensional model of carboxy-myoglobin. Density functional theory is used to obtain the potential energy and dipole moment surfaces of the active site model. The Conjugate gradient method is employed to optimize the cost functional and to obtain the optimized laser pulses. Optimized laser fields are found which give virtually 100% excitation probability to preselected vibrational levels.
UR - http://www.scopus.com/inward/record.url?scp=47749097619&partnerID=8YFLogxK
U2 - 10.1007/978-3-540-69387-1_43
DO - 10.1007/978-3-540-69387-1_43
M3 - Conference contribution
AN - SCOPUS:47749097619
SN - 3540693866
SN - 9783540693864
T3 - Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics)
SP - 387
EP - 395
BT - Computational Science - ICCS 2008 - 8th International Conference, Proceedings
Y2 - 23 June 2008 through 25 June 2008
ER -