Abstract
Optimal control theory is applied to obtain infrared laser pulses for selective vibrational excitation in a heteronuclear diatomic molecule. The problem of finding the optimized field is phrased as a maximization of a cost functional which depends on the laser field. A time dependent Gaussian factor is introduced in the field prior to evaluation of the cost functional for better field shape. Conjugate gradient method21,24 is used for optimization of constructed cost functional. At each instant of time, the optimal electric field is calculated and used for the subsequent quantum dynamics, within the dipole approximation. The results are obtained using both Morse potential as well as potential energy obtained using ab initio calculations.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
Rice S and Zhao M 2000 Optical control of molecular dynamics (John Wiley Sons: USA)
Shapiro M and Brumer P 2003 Principles of the quantum control of molecular processes (John Wiley Sons: USA)
Tannor D J and Rice S 1985 J. Chem. Phys. 83 5013
Brumer P and Shapiro M 1986 Chem. Phys. Lett. 126 541
Shi S and Rabitz H 1990 J. Chem. Phys. 92 364
Gross P, Singh H, Rabitz H, Mease K and Huang G M 1993 Phys. Rev. A47 4593
Assion A, Baumert T, Bergt M, Brixner T, Kiefer B, Seyfried V, Strehle M and Gerber G 1998 Science 282 919
Levis R J, Mnkir G M and Rabitz H 2001 Science 292 709
Vajda S et al 2001 Chem. Phys. 267 231
Nuernberger P, Vogt G, Brixner T and Gerber G 2007 Phys. Chem. Chem. Phys. 9 2470
Tesch C M and Vivie-Riedle R de 2002 Phys. Rev. Lett. 89 157901
Shapiro M and Brumer P 1989 Acc. Chem. Res. 22 407
Brumer P and Shapiro M 1992 Ann. Rev. Phys. Chem. 43 257
Bergmann K, Theuer H and Shore B W 1998 Rev. Mod. Phys. 70 1003
Goswami D 2003 Phys. Rep. 374 385
Peirce A P, Dahleh M A and Rabitz H 1988 Phys. Rev. A37 4950
Dahleh M A, Peirce A P and Rabitz H 1990 Phys. Rev. A42 1065
Palao J P and Kosloff R 2003 Phys. Rev. A68 062308
Zhu W, Botina J and Rabitz H 1998 J. Chem. Phys. 108 1953
Balint-Kurti G G, Zou S and Brown A 2007 Adv. Chem. Phys. (in press)
Balint-Kurti G G, Manby F R, Ren Q, Artamonov M, Ho T and Rabitz H 2005 J. Chem. Phys. 122 084110 (b) Ren Q, Balint-Kurti G G, Manby F R, Artamonov M, Ho T and Rabitz H 2006 J. Chem. Phys. 124 014111
Sundermann K and Vivie-Riedle R de 1999 J. Chem. Phys. 110 1896
Shah S P and Rice S A 2000 J. Chem. Phys. 113 6536
Press W H, Teukolsky S A, Vetterling W T and Flannery B P 2000 Numerical Recipes in FORTRAN, (Cambridge U. P.)
Kumar P, Sharma S and Singh H (in this issue)
Feit M D and Fleck Jr J A 1983 J. Chem. Phys. 78 301
Feit M D and Fleck Jr J A 1984 J. Chem. Phys. 80 2578
Polak E 1971 Computational methods in optimization, mathematics in science and engineering (New York: Academic), vol 77
Birgin E G, Martinez J M and Raydan M 2000 SIAM J. Optim. 10 1996
Digital Signal Processing (eds) L R Rabiner and C M Rader 1972 (New York: IEEE)
Gross P, Neuhauser D and Rabitz H 1992 J. Chem. Phys. 96 2834
Becke A D 1993 J. Chem. Phys. 98 5648 (b) Lee C, Yang W, Parr R G 1988 Phys. Rev. B37 785 (c) Frisch M J et al 2004 Gaussian 03, revision C.02, Gaussian Inc. Wallingford CT
Clay C Marston and Balint-kurti G G 1989 J. Chem. Phys. 91 3571
Stine J R and Noid D W 1979 Opt. Commun. 31 161
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Sharma, S., Sharma, P. & Singh, H. Quantum control of vibrational excitations in a heteronuclear diatomic molecule. J Chem Sci 119, 433–440 (2007). https://doi.org/10.1007/s12039-007-0056-y
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12039-007-0056-y