Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology

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Publicado en:Chemistry vol. 7, no. 5 (2025), p. 164-222
Autor principal: Yamada Satoru
Otros Autores: Kobayashi Takao, Takahata Masahiro, Nitta Hiroya, Isobe, Hiroshi, Kawakami, Takashi, Yamanaka Shusuke, Okumura Mitsutaka, Yamaguchi Kizashi
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MDPI AG
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LEADER 00000nab a2200000uu 4500
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022 |a 2624-8549 
024 7 |a 10.3390/chemistry7050164  |2 doi 
035 |a 3265849910 
045 2 |b d20250101  |b d20251231 
100 1 |a Yamada Satoru  |u SANKEN, The University of Osaka, Ibaraki, Osaka 567-0047, Japan; s-yamada@sanken.osaka-u.ac.jp 
245 1 |a Non-Perturbative Approaches to Linear and Nonlinear Responses of Atoms, Molecules, and Molecular Aggregates: A Theoretical Approach to Molecular Quantum Information and Quantum Biology 
260 |b MDPI AG  |c 2025 
513 |a Journal Article 
520 3 |a Non-perturbative approaches to linear and nonlinear responses (NLR) of atoms, molecules, and molecular aggregates are reviewed in relation to low and high harmonic generations (HG) by laser fields. These response properties are effective for the generation of entangled light pairs for quantum information processing by spontaneous parametric downconversion (SPDC) and stimulated four-wave mixing (SFWM). Quasi-energy derivative (QED) methods, such as QED Møller–Plesset (MP) perturbation, are reviewed as time-dependent variational methods (TDVP), providing analytical expressions of time-dependent linear and nonlinear responses of open-shell atoms, molecules, and molecular aggregates. Numerical Liouville methods for the low HG (LHG) and high HG (HHG) regimes are reviewed to elucidate the NLR of molecules in both LHG and HHG regimes. Three-step models for the generation of HHG in the latter regime are reviewed in relation to developments of attosecond science and spectroscopy. Orbital tomography is also reviewed in relation to the theoretical and experimental studies of the amplitudes and phases of wave functions of open-shell atoms and molecules, such as molecular oxygen, providing the Dyson orbital explanation. Interactions between quantum lights and molecules are theoretically examined in relation to derivations of several distribution functions for quantum information processing, quantum dynamics of molecular aggregates, and future developments of quantum molecular devices such as measurement-based quantum computation (MBQC). Quantum dynamics for energy transfer in dendrimer and related light-harvesting antenna systems are reviewed to examine the classical and quantum dynamics behaviors of photosynthesis. It is shown that quantum coherence plays an important role in the well-organized arrays of chromophores. Finally, applications of quantum optics to molecular quantum information and quantum biology are examined in relation to emerging interdisciplinary frontiers. 
653 |a Time dependence 
653 |a Quantum computing 
653 |a Data processing 
653 |a Science 
653 |a Investigations 
653 |a Oxygen 
653 |a Harmonic generations 
653 |a Quantum optics 
653 |a Chromophores 
653 |a Variational methods 
653 |a Nonlinear response 
653 |a Optics 
653 |a Energy transfer 
653 |a Quantum phenomena 
653 |a Quantum physics 
653 |a Four-wave mixing 
653 |a Lasers 
653 |a Quantum electrodynamics 
653 |a Distribution functions 
653 |a Gravitational waves 
653 |a Light 
653 |a Biology 
653 |a Wave functions 
653 |a Coherence 
653 |a Information science 
653 |a Photosynthesis 
700 1 |a Kobayashi Takao  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Takahata Masahiro  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Nitta Hiroya  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Isobe, Hiroshi  |u Research Institute for Interdisciplinary Science, Graduate School of Natural Science, Okayama University, Okayama 700-8530, Japan 
700 1 |a Kawakami, Takashi  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Yamanaka Shusuke  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Okumura Mitsutaka  |u Department of Chemistry, Graduate School of Science, The University of Osaka, Toyonaka 560-0043, Japan 
700 1 |a Yamaguchi Kizashi  |u SANKEN, The University of Osaka, Ibaraki, Osaka 567-0047, Japan; s-yamada@sanken.osaka-u.ac.jp 
773 0 |t Chemistry  |g vol. 7, no. 5 (2025), p. 164-222 
786 0 |d ProQuest  |t Materials Science Database 
856 4 1 |3 Citation/Abstract  |u https://www.proquest.com/docview/3265849910/abstract/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text + Graphics  |u https://www.proquest.com/docview/3265849910/fulltextwithgraphics/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch 
856 4 0 |3 Full Text - PDF  |u https://www.proquest.com/docview/3265849910/fulltextPDF/embedded/7BTGNMKEMPT1V9Z2?source=fedsrch