Quantum tracking control of the orientation of symmetric-top molecules

Magann, Alicia B.; Ho, Tak-San; Arenz, Christian; Rabitz, Herschel A.

doi:10.1103/physreva.108.033106

Title: Quantum tracking control of the orientation of symmetric-top molecules

Journal Article · 18 September 2023 · Physical Review A

DOI: https://doi.org/10.1103/physreva.108.033106 · OSTI ID:2311324

^[1]; Ho, Tak-San ^[2]; Arenz, Christian ^[3];

^[2]

Princeton Univ., NJ (United States); Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Princeton Univ., NJ (United States)
Princeton Univ., NJ (United States); Arizona State Univ., Tempe, AZ (United States)

The goal of quantum tracking control is to identify shaped fields to steer observable expectation values along designated time-dependent tracks. The fields are determined via an iteration-free procedure, which is based on inverting the underlying dynamical equations governing the controlled observables. In this paper, we generalize the ideas in [Phys. Rev. A 98, 043429 (2018)] to the task of orienting symmetric top molecules in three dimensions. To this end, we derive equations for the control fields capable of directly tracking the expected value of the three-dimensional dipole orientation vector along a desired path in time. In conclusion, we show this framework can be utilized for tracking the orientation of linear molecules as well, and present numerical illustrations of these principles for symmetric-top tracking control problems.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE National Nuclear Security Administration (NNSA); USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR); US Army Research Office (ARO)

Grant/Contract Number:: NA0003525; FG02-97ER25308; FG02-02ER15344; W911NF-19-1- 0382

OSTI ID:: 2311324

Report Number(s):: SAND-2024-01300J; TRN: US2409132

Journal Information:: Physical Review A, Vol. 108, Issue 3; ISSN 2469-9926

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (62)

All-Optical Molecular Orientation Oda, Keita; Hita, Masafumi; Minemoto, Shinichirou Physical Review Letters, Vol. 104, Issue 21 https://doi.org/10.1103/PhysRevLett.104.213901	journal	May 2010
Control of classical regime molecular objectives—Applications of tracking and variations on the theme Chen, Yu; Gross, Peter; Ramakrishna, Viswanath Automatica, Vol. 33, Issue 9 https://doi.org/10.1016/S0005-1098(97)00077-0	journal	September 1997
Output Tracking for Nonlinear Systems with Singular Points Hirschorn, R.; Davis, J. SIAM Journal on Control and Optimization, Vol. 25, Issue 3 https://doi.org/10.1137/0325030	journal	May 1987
Monotonic convergent quantum optimal control method with exact equality constraints on the optimized control fields Shu, Chuan-Cun; Ho, Tak-San; Rabitz, Herschel Physical Review A, Vol. 93, Issue 5 https://doi.org/10.1103/PhysRevA.93.053418	journal	May 2016
Control of quantum phenomena: past, present and future Brif, Constantin; Chakrabarti, Raj; Rabitz, Herschel New Journal of Physics, Vol. 12, Issue 7 https://doi.org/10.1088/1367-2630/12/7/075008	journal	July 2010
Controlling arbitrary observables in correlated many-body systems McCaul, Gerard; Orthodoxou, Christopher; Jacobs, Kurt Physical Review A, Vol. 101, Issue 5 https://doi.org/10.1103/PhysRevA.101.053408	journal	May 2020
Analytical Control of Molecular Excitations Including Strong Field Polarization Effects Zou, Shiyang; Ren, Qinghua; Balint-Kurti, Gabriel G. Physical Review Letters, Vol. 96, Issue 24 https://doi.org/10.1103/PhysRevLett.96.243003	journal	June 2006
Leakage reduction in fast superconducting qubit gates via optimal control Werninghaus, M.; Egger, D. J.; Roy, F. npj Quantum Information, Vol. 7, Issue 1 https://doi.org/10.1038/s41534-020-00346-2	journal	January 2021
The reproducibility of multivariable systems Brockett, R. W.; Mesarović, M. D. Journal of Mathematical Analysis and Applications, Vol. 11 https://doi.org/10.1016/0022-247X(65)90104-6	journal	January 1965
Molecular Orientation and Alignment by Intense Single-Cycle THz Pulses Fleischer, Sharly; Zhou, Yan; Field, Robert W. Physical Review Letters, Vol. 107, Issue 16 https://doi.org/10.1103/PhysRevLett.107.163603	journal	October 2011
Inverse quantum-mechanical control: A means for design and a test of intuition Gross, Peter; Singh, Harjinder; Rabitz, Herschel Physical Review A, Vol. 47, Issue 6 https://doi.org/10.1103/PhysRevA.47.4593	journal	June 1993
Managing singular behavior in the tracking control of quantum dynamical observables Zhu, Wusheng; Smit, Martina; Rabitz, Herschel The Journal of Chemical Physics, Vol. 110, Issue 4 https://doi.org/10.1063/1.477857	journal	January 1999
Photonic synthesis of broadband microwave arbitrary waveforms applicable to ultra-wideband communication Lin, I. S.; McKinney, J. D.; Weiner, A. M. IEEE Microwave and Wireless Components Letters, Vol. 15, Issue 4 https://doi.org/10.1109/LMWC.2005.845698	journal	April 2005
Optimal Control Technique for Many-Body Quantum Dynamics Doria, Patrick; Calarco, Tommaso; Montangero, Simone Physical Review Letters, Vol. 106, Issue 19 https://doi.org/10.1103/PhysRevLett.106.190501	journal	May 2011
Reactions of Oriented Molecules Brooks, P. R. Science, Vol. 193, Issue 4247 https://doi.org/10.1126/science.193.4247.11	journal	July 1976
Selective Bond Dissociation and Rearrangement with Optimally Tailored, Strong-Field Laser Pulses Levis, Robert J.; Menkir, Getahun M.; Rabitz, Herschel Science, Vol. 292, Issue 5517, p. 709-713 https://doi.org/10.1126/science.1059133	journal	March 2001
Molecular Level-Crossing Spectroscopy Zare, Richard N. The Journal of Chemical Physics, Vol. 45, Issue 12 https://doi.org/10.1063/1.1727531	journal	December 1966
Quantum error correction in a solid-state hybrid spin register Waldherr, G.; Wang, Y.; Zaiser, S. Nature, Vol. 506, Issue 7487 https://doi.org/10.1038/nature12919	journal	February 2014
Chopped random-basis quantum optimization Caneva, Tommaso; Calarco, Tommaso; Montangero, Simone Physical Review A, Vol. 84, Issue 2 https://doi.org/10.1103/PhysRevA.84.022326	journal	August 2011
The Asymmetric Rotor II. Calculation of Dipole Intensities and Line Classification Cross, Paul C.; Hainer, R. M.; King, Gilbert W. The Journal of Chemical Physics, Vol. 12, Issue 6 https://doi.org/10.1063/1.1723935	journal	June 1944
Condensed Matter Theory of Dipolar Quantum Gases Baranov, M. A.; Dalmonte, M.; Pupillo, G. Chemical Reviews, Vol. 112, Issue 9 https://doi.org/10.1021/cr2003568	journal	April 2012
Field-Free Orientation of CO Molecules by Femtosecond Two-Color Laser Fields De, S.; Znakovskaya, I.; Ray, D. Physical Review Letters, Vol. 103, Issue 15 https://doi.org/10.1103/PhysRevLett.103.153002	journal	October 2009
High-Harmonic Spectroscopy of Oriented OCS Molecules: Emission of Even and Odd Harmonics Kraus, P. M.; Rupenyan, A.; Wörner, H. J. Physical Review Letters, Vol. 109, Issue 23 https://doi.org/10.1103/PhysRevLett.109.233903	journal	December 2012
Classical and Quantum Controllability of a Rotating Symmetric Molecule Boscain, Ugo; Pozzoli, Eugenio; Sigalotti, Mario SIAM Journal on Control and Optimization, Vol. 59, Issue 1 https://doi.org/10.1137/20M1311442	journal	January 2021
Quantum Computation using Arrays of N Polar Molecules in Pendular States Wei, Qi; Cao, Yudong; Kais, Sabre ChemPhysChem, Vol. 17, Issue 22 https://doi.org/10.1002/cphc.201600781	journal	October 2016
LIMAO: Cross-platform software for simulating laser-induced alignment and orientation dynamics of linear-, symmetric- and asymmetric tops Szidarovszky, Tamás; Jono, Maho; Yamanouchi, Kaoru Computer Physics Communications, Vol. 228 https://doi.org/10.1016/j.cpc.2018.02.023	journal	July 2018
Optimal control of quantum-mechanical systems: Existence, numerical approximation, and applications Peirce, Anthony P.; Dahleh, Mohammed A.; Rabitz, Herschel Physical Review A, Vol. 37, Issue 12, p. 4950-4964 https://doi.org/10.1103/PhysRevA.37.4950	journal	June 1988
Strong-field control by reverse engineering Tóth, Attila; Csehi, András Physical Review A, Vol. 104, Issue 6 https://doi.org/10.1103/PhysRevA.104.063102	journal	December 2021
Photonic generation of microwave arbitrary waveforms Yao, Jianping Optics Communications, Vol. 284, Issue 15 https://doi.org/10.1016/j.optcom.2011.02.069	journal	July 2011
Driven Imposters: Controlling Expectations in Many-Body Systems McCaul, Gerard; Orthodoxou, Christopher; Jacobs, Kurt Physical Review Letters, Vol. 124, Issue 18 https://doi.org/10.1103/PhysRevLett.124.183201	journal	May 2020
Control of bond-selective photochemistry in CH $\scriptstyle \mathsf {2}$ BrCl using adaptive femtosecond pulse shaping Damrauer, N. H.; Dietl, C.; Krampert, G. The European Physical Journal D - Atomic, Molecular and Optical Physics, Vol. 20, Issue 1 https://doi.org/10.1140/epjd/e2002-00101-8	journal	July 2002
Control of Chemical Reactions by Feedback-Optimized Phase-Shaped Femtosecond Laser Pulses Assion, A.; Baumert, T.; Bergt, M. Science, Vol. 282, Issue 5390, p. 919-922 https://doi.org/10.1126/science.282.5390.919	journal	October 1998
Controlling open quantum systems: tools, achievements, and limitations Koch, Christiane P. Journal of Physics: Condensed Matter, Vol. 28, Issue 21 https://doi.org/10.1088/0953-8984/28/21/213001	journal	May 2016
How to Make Distinct Dynamical Systems Appear Spectrally Identical Campos, Andre G.; Bondar, Denys I.; Cabrera, Renan Physical Review Letters, Vol. 118, Issue 8 https://doi.org/10.1103/PhysRevLett.118.083201	journal	February 2017
Optical Indistinguishability via Twinning Fields McCaul, Gerard; King, Alexander F.; Bondar, Denys I. Physical Review Letters, Vol. 127, Issue 11 https://doi.org/10.1103/PhysRevLett.127.113201	journal	September 2021
Silicon qubit fidelities approaching incoherent noise limits via pulse engineering Yang, C. H.; Chan, K. W.; Harper, R. Nature Electronics, Vol. 2, Issue 4 https://doi.org/10.1038/s41928-019-0234-1	journal	April 2019
Far Infrared Spectrum and Ground State Parameters of 12CH3F Papousek, D.; Hsu, Y. C.; Chen, H. S. Journal of Molecular Spectroscopy, Vol. 159, Issue 1 https://doi.org/10.1006/jmsp.1993.1102	journal	May 1993
Training Schrödinger’s cat: quantum optimal control: Strategic report on current status, visions and goals for research in Europe Glaser, Steffen J.; Boscain, Ugo; Calarco, Tommaso The European Physical Journal D, Vol. 69, Issue 12 https://doi.org/10.1140/epjd/e2015-60464-1	journal	December 2015
New formulations of monotonically convergent quantum control algorithms Maday, Yvon; Turinici, Gabriel The Journal of Chemical Physics, Vol. 118, Issue 18 https://doi.org/10.1063/1.1564043	journal	May 2003
Closed-loop control of a GaAs-based singlet-triplet spin qubit with 99.5% gate fidelity and low leakage Cerfontaine, Pascal; Botzem, Tim; Ritzmann, Julian Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-17865-3	journal	August 2020
Quantum control of multidimensional systems Implementation within the time‐dependent Hartree approximation Messina, Michael; Wilson, Kent R.; Krause, Jeffrey L. The Journal of Chemical Physics, Vol. 104, Issue 1, p. 173-182 https://doi.org/10.1063/1.470887	journal	January 1996
Invertibility of quantum-mechanical control systems Ong, C. K.; Huang, G. M.; Tarn, T. J. Mathematical Systems Theory, Vol. 17, Issue 1 https://doi.org/10.1007/BF01744448	journal	December 1984
Control of molecular orientation with combined near-single-cycle THz and optimally designed non-resonant laser pulses: Carrier-envelope phase effects Yoshida, Masataka; Ohtsuki, Yukiyoshi Chemical Physics Letters, Vol. 633 https://doi.org/10.1016/j.cplett.2015.05.041	journal	July 2015
Directional Dynamics in the Photodissociation of Oriented Molecules Rakitzis, T. P. Science, Vol. 303, Issue 5665 https://doi.org/10.1126/science.1094186	journal	March 2004
Coherent control of molecular alignment of homonuclear diatomic molecules by analytically designed laser pulses Zou, Shiyang; Sanz, Cristina; Balint-Kurti, Gabriel G. The Journal of Chemical Physics, Vol. 129, Issue 12 https://doi.org/10.1063/1.2976154	journal	September 2008
High-Fidelity Software-Defined Quantum Logic on a Superconducting Qudit Wu, Xian; Tomarken, S. L.; Petersson, N. Anders Physical Review Letters, Vol. 125, Issue 17 https://doi.org/10.1103/PhysRevLett.125.170502	journal	October 2020
Laser Control of Chemical Reactions Zare, Richard N. Science, Vol. 279, Issue 5358, p. 1875-1879 https://doi.org/10.1126/science.279.5358.1875	journal	March 1998
Optimal Control of Photoisomerization Vogt, G.; Krampert, G.; Niklaus, P. Physical Review Letters, Vol. 94, Issue 6 https://doi.org/10.1103/PhysRevLett.94.068305	journal	February 2005
Multi-polarization quantum control of rotational motion through dipole coupling Turinici, Gabriel; Rabitz, Herschel Journal of Physics A: Mathematical and Theoretical, Vol. 43, Issue 10 https://doi.org/10.1088/1751-8113/43/10/105303	journal	February 2010
Quantum control of alignment and orientation of molecules by optimized laser pulses Hoki, K.; Fujimura, Y. Chemical Physics, Vol. 267, Issue 1-3 https://doi.org/10.1016/S0301-0104(01)00255-5	journal	June 2001
Optimal molecular alignment and orientation through rotational ladder climbing Salomon, Julien; Dion, Claude M.; Turinici, Gabriel The Journal of Chemical Physics, Vol. 123, Issue 14 https://doi.org/10.1063/1.2049270	journal	October 2005
Optimal control of coupled quantum systems based on the first-order Magnus expansion: Application to multiple dipole-dipole-coupled molecular rotors Ma, Andrew; Magann, Alicia B.; Ho, Tak-San Physical Review A, Vol. 102, Issue 1 https://doi.org/10.1103/PhysRevA.102.013115	journal	July 2020
Sequential optical response suppression for chemical mixture characterization Magann, Alicia B.; McCaul, Gerard; Rabitz, Herschel A. Quantum, Vol. 6 https://doi.org/10.22331/q-2022-01-20-626	journal	January 2022
Direct Observation, Study, and Control of Molecular Superrotors Korobenko, Aleksey; Milner, Alexander A.; Milner, Valery Physical Review Letters, Vol. 112, Issue 11 https://doi.org/10.1103/PhysRevLett.112.113004	journal	March 2014
Invertibility of Nonlinear Control Systems Hirschorn, R. M. SIAM Journal on Control and Optimization, Vol. 17, Issue 2 https://doi.org/10.1137/0317022	journal	March 1979
Multi-input Schrödinger equation: Controllability, tracking, and application to the quantum angular momentum Boscain, Ugo; Caponigro, Marco; Sigalotti, Mario Journal of Differential Equations, Vol. 256, Issue 11 https://doi.org/10.1016/j.jde.2014.02.004	journal	June 2014
Competitive tracking of molecular objectives described by quantum mechanics Chen, Yu; Gross, Peter; Ramakrishna, Viswanath The Journal of Chemical Physics, Vol. 102, Issue 20 https://doi.org/10.1063/1.468998	journal	May 1995
A rapid monotonically convergent iteration algorithm for quantum optimal control over the expectation value of a positive definite operator Zhu, Wusheng; Rabitz, Herschel The Journal of Chemical Physics, Vol. 109, Issue 2 https://doi.org/10.1063/1.476575	journal	July 1998
Coherent Control of Bond Making Levin, Liat; Skomorowski, Wojciech; Rybak, Leonid Physical Review Letters, Vol. 114, Issue 23 https://doi.org/10.1103/PhysRevLett.114.233003	journal	June 2015
High-fidelity spin entanglement using optimal control Dolde, Florian; Bergholm, Ville; Wang, Ya Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms4371	journal	February 2014
Quantum optimal control of multiple weakly interacting molecular rotors in the time-dependent Hartree approximation Magann, Alicia; Chen, Linhan; Ho, Tak-San The Journal of Chemical Physics, Vol. 150, Issue 16 https://doi.org/10.1063/1.5091520	journal	April 2019
LIMAO: Cross-platform software for simulating laser-induced alignment and orientation dynamics of linear-, symmetric- and asymmetric tops Szidarovszky, Tamás Mendeley https://doi.org/10.17632/x7h287gc9p.1	dataset	January 2018