يعرض 1 - 20 نتائج من 250,009 نتيجة بحث عن '"Excited"', وقت الاستعلام: 0.44s تنقيح النتائج
  1. 1
    Academic Journal
    Excited states from GW/BSE and Hartree–Fock theory: Effects of polarizability and transition type on accuracy of excited state energies.

    المؤلفون: Waide, David T.1 (AUTHOR), Patterson, Charles H.1 (AUTHOR) Charles.Patterson@tcd.ie

    المصدر: Journal of Chemical Physics. 12/14/2024, Vol. 161 Issue 22, p1-16. 16p.

    مصطلحات موضوعية: *EXCITED state energies, *ENERGY levels (Quantum mechanics), *MOLECULAR shapes, *EXCITED states, *IONIZATION energy


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  2. 2
    Academic Journal
    Multiconfigurational short-range on-top pair-density functional theory.

    المؤلفون: Jørgensen, Frederik Kamper1 (AUTHOR), Kjellgren, Erik Rosendahl1 (AUTHOR), Jensen, Hans Jørgen Aagaard1 (AUTHOR) hjj@sdu.dk, Hedegård, Erik Donovan1 (AUTHOR) erdh@sdu.dk

    المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-17. 17p.

    مصطلحات موضوعية: *OPTIMIZATION algorithms, *EXCITED states, *NITROGEN, *DENSITY, *SYMMETRY


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  3. 3
    Academic Journal
    Observing quantum coherent oscillations in a three-level atom via electromagnetically induced transparency by two-dimensional spectroscopy.

    المؤلفون: Jin, Jing-Yi-Ran1,2 (AUTHOR), Zhang, Hao-Yue1,2 (AUTHOR), Yao, Yi-Xuan1,2 (AUTHOR), Chen, Rong-Hang1,2,3 (AUTHOR), Ai, Qing1,2 (AUTHOR) aiqing@bnu.edu.cn

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-9. 9p.

    مصطلحات موضوعية: *EXCITED states, *OSCILLATIONS, *SPECTROMETRY, *ATOMS


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  4. 4
    Academic Journal
    Excited state properties from the Bethe–Salpeter equation: State-to-state transitions and spin–orbit coupling.

    المؤلفون: Himmelsbach, Paula1 (AUTHOR), Holzer, Christof1 (AUTHOR) holzer@kit.edu

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-11. 11p.

    مصطلحات موضوعية: *TIME-dependent density functional theory, *EXCITED states, *CIRCULAR dichroism, *COMPUTATIONAL complexity


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  5. 5
    Academic Journal
    Double configuration interaction singles: Scalable and size-intensive approach for orbital relaxation in excited states and bond-dissociation.

    المؤلفون: Tsuchimochi, Takashi1 (AUTHOR) tsuchimochi@gmail.com

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-8. 8p.

    مصطلحات موضوعية: *EXCITED states, *ALGORITHMS, *COST, *HESSIAN matrices


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  6. 6
    Academic Journal
    Encapsulation-induced hypsochromic shift of emission properties from a cationic Ir(III) complex in a hydrogen-bonded organic cage: A theoretical study.

    المؤلفون: Uratani, Hiroki1,2 (AUTHOR) uratani@moleng.kyoto-u.ac.jp, Horiuchi, Shinnosuke3 (AUTHOR) shoriuchi@g.ecc.u-tokyo.ac.jp

    المصدر: Journal of Chemical Physics. 11/28/2024, Vol. 161 Issue 20, p1-7. 7p.

    مصطلحات موضوعية: *MOLECULAR orbitals, *EXCITED states, *SPACE vehicles, *CHEMICAL properties, *PHOTOLUMINESCENCE


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  7. 7
    Academic Journal
    Vibronic coherent quantum beat in four-layer platinum carbonyl cluster.

    المؤلفون: Xiao, Shufan1 (AUTHOR), Zou, Jianwei1 (AUTHOR), Hou, Zhuowei1 (AUTHOR), Guan, Jianxin1 (AUTHOR), Yu, Zhihao1 (AUTHOR), Zheng, Junrong1 (AUTHOR) junrong@pku.edu.cn

    المصدر: Journal of Chemical Physics. 11/7/2024, Vol. 161 Issue 17, p1-14. 14p.

    مصطلحات موضوعية: *QUANTUM operators, *EXCITED states, *VIBRONIC coupling, *ELECTRONIC excitation, *QUANTUM chemistry


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  8. 8
    Academic Journal
    Effect of locally excited state on fluorescence transition dipole moment in quadrupolar molecules subjected to symmetry breaking charge transfer.

    المؤلفون: Mikhailova, Tatyana V.1 (AUTHOR), Mikhailova, Valentina A.1 (AUTHOR), Ivanov, Anatoly I.1 (AUTHOR) Anatoly.Ivanov@volsu.ru

    المصدر: Journal of Chemical Physics. 10/21/2024, Vol. 161 Issue 15, p1-12. 12p.

    مصطلحات موضوعية: *EXCITED states, *MOLECULAR magnetic moments, *DIPOLE moments, *CHARGE transfer, *SYMMETRY breaking


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  9. 9
    Academic Journal
    FMO-LC-TDDFTB method for excited states of large molecular assemblies in the strong light-matter coupling regime.

    المؤلفون: Einsele, Richard1 (AUTHOR), Philipp, Luca Nils1 (AUTHOR), Mitrić, Roland1 (AUTHOR) roland.mitric@uni-wuerzburg.de

    المصدر: Journal of Chemical Physics. 10/21/2024, Vol. 161 Issue 15, p1-11. 11p.

    مصطلحات موضوعية: *POLARIZATION (Electricity), *EXCITED states, *MOLECULAR orbitals, *ELECTRIC fields, *MOLECULAR dynamics


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  10. 10
    Academic Journal
    Intramolecular benzene excimer formation in 13,14-diphenyldibenzo[b,j][4,7]phenanthroline.

    المؤلفون: Lin, Jiafen1 (AUTHOR), Ma, Lin2 (AUTHOR), Zhao, Yilun2 (AUTHOR), Long, Saran1 (AUTHOR) srlong@dlut.edu.cn, Li, Tianjiao3 (AUTHOR), Ghosh, Animesh4 (AUTHOR), Grimsdale, Andrew C.4 (AUTHOR), Peng, Xiaojun1,5 (AUTHOR), Sun, Licheng3,6,7 (AUTHOR), Gurzadyan, Gagik G.3 (AUTHOR) gurzadyan@dlut.edu.cn

    المصدر: Journal of Chemical Physics. 10/14/2024, Vol. 161 Issue 14, p1-8. 8p.

    مصطلحات موضوعية: *FLUORESCENCE spectroscopy, *EXCITED states, *PHENANTHROLINE, *BENZENE, *FLUORESCENCE


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  11. 11
    Academic Journal
    Exciting DeePMD: Learning excited-state energies, forces, and non-adiabatic couplings.

    المؤلفون: Dupuy, Lucien1 (AUTHOR), Maitra, Neepa T.1 (AUTHOR) neepa.maitra@rutgers.edu

    المصدر: Journal of Chemical Physics. 10/7/2024, Vol. 161 Issue 13, p1-13. 13p.

    مصطلحات موضوعية: *EXCITED state energies, *FORCE & energy, *ELECTRONIC structure, *DYADS


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  12. 12
    Academic Journal
    Imaging study of O3 photodissociation in the Huggins band.

    المؤلفون: Shuber, Nicholas J.1 (AUTHOR), Fast, Megan E.1 (AUTHOR), North, Simon W.1 (AUTHOR) swnorth@tamu.edu

    المصدر: Journal of Chemical Physics. 9/28/2024, Vol. 161 Issue 12, p1-9. 9p.

    مصطلحات موضوعية: *BRANCHING ratios, *EXCITED states, *PHOTODISSOCIATION, *ELECTRONIC evidence, *DIAGNOSTIC imaging


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  13. 13
    Academic Journal
    Accurate determination of excitation energy: An equation-of-motion approach over a bi-exponential coupled cluster theory.

    المؤلفون: Chakraborty, Anish1,2 (AUTHOR) anish.saheb41@gmail.com, Samanta, Pradipta Kumar3 (AUTHOR), Maitra, Rahul1 (AUTHOR) rmaitra@chem.iitb.ac.in

    المصدر: Journal of Chemical Physics. 9/21/2024, Vol. 161 Issue 11, p1-12. 12p.

    مصطلحات موضوعية: *EXCITED states, *LINEAR operators, *CHEMICAL systems, *PARAMETERIZATION


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  14. 14
    Academic Journal
    A second-order kinetic model for global analysis of vibrational polariton dynamics.

    المؤلفون: Mao, Haochuan1 (AUTHOR), Xiong, Wei1,2 (AUTHOR) w2xiong@ucsd.edu

    المصدر: Journal of Chemical Physics. 9/14/2024, Vol. 161 Issue 10, p1-8. 8p.

    مصطلحات موضوعية: *EXCITED states, *QUANTUM states, *MOLECULAR vibration, *PHOTONS, *SYSTEM dynamics


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  15. 15
    Academic Journal
    Signatures of exciton–exciton annihilation in 2DES spectra including up to six-wave mixing processes.

    المؤلفون: Bubilaitis, Vytautas1 (AUTHOR), Abramavicius, Darius1 (AUTHOR) darius.abramavicius@ff.vu.lt

    المصدر: Journal of Chemical Physics. 9/14/2024, Vol. 161 Issue 10, p1-17. 17p.

    مصطلحات موضوعية: *SYMMETRY breaking, *EXCITED states, *EXCITON theory, *QUASIPARTICLES, *SPECTROMETRY


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  16. 16
    Academic Journal
    New theoretical insights on the nonradiative relaxation mechanism of the core structure of mycosporines: The amino-cyclohexenone central template.

    المؤلفون: Roshan, Simin1 (AUTHOR), Hymas, Michael2,3 (AUTHOR), Stavros, Vasilios G.2 (AUTHOR) v.stavros@bham.ac.uk, Omidyan, Reza1 (AUTHOR) r.omidyan@sci.ui.ac.ir

    المصدر: Journal of Chemical Physics. 9/7/2024, Vol. 161 Issue 9, p1-9. 9p.

    مصطلحات موضوعية: *EXCITED states, *PHOTOEXCITATION, *ABSORPTION, *MOLECULES, *MICROORGANISMS


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  17. 17
    Academic Journal
    Pure rotational and rovibrational spectroscopy of cyclopropylamine in the far-infrared region: –NH2 torsion.

    المؤلفون: Liang, Yue1 (AUTHOR), Fábri, Csaba2 (AUTHOR), Su, Junjie1 (AUTHOR), Billinghurst, Brant3 (AUTHOR), Zhao, Jianbao3 (AUTHOR), Chen, Ziqiu1 (AUTHOR) chenzq@lzu.edu.cn, Liu, Bowen1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 9/7/2024, Vol. 161 Issue 9, p1-15. 15p.

    مصطلحات موضوعية: *EXCITED states, *INTERSTELLAR medium, *FOURIER transforms, *TORSION, *SYNCHROTRONS, *TORSIONAL load, *ENERGY levels (Quantum mechanics)


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  18. 18
    Academic Journal
    Incoherent ultrafast energy transfer in phycocyanin 620 from Thermosynechococcus vulcanus revealed by polarization-controlled two dimensional electronic spectroscopy.

    المؤلفون: Wang, Jiayu1,2 (AUTHOR), Zhu, Ruidan1 (AUTHOR), Zou, Jiading3 (AUTHOR), Liu, Heyuan1,2 (AUTHOR), Meng, Hanting1,2 (AUTHOR), Zhen, Zhanghe1 (AUTHOR), Li, Wenjun4 (AUTHOR), Wang, Zhuan1 (AUTHOR), Chen, Hailong1,2,3 (AUTHOR), Pu, Yang5 (AUTHOR) ypu@ldu.edu.cn, Weng, Yuxiang1,2,3 (AUTHOR) yxweng@iphy.ac.cn

    المصدر: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-12. 12p.

    مصطلحات موضوعية: *FLUORESCENCE resonance energy transfer, *EXCITED state energies, *ENERGY transfer, *CIRCULAR dichroism, *TIME-resolved measurements


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  19. 19
    Academic Journal
    Molecular donor–acceptor linked systems as models for examining their interactions in excited states.

    المؤلفون: Imahori, Hiroshi1,2,3 (AUTHOR) imahori@scl.kyoto-u.ac.jp, Akiyama, Midori1 (AUTHOR) akiyama@moleng.kyoto-u.ac.jp

    المصدر: Journal of Chemical Physics. 8/28/2024, Vol. 161 Issue 8, p1-10. 10p.

    مصطلحات موضوعية: *EXCITED states, *ATOMIC nucleus, *ELECTRON spin, *ROTATIONAL motion


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  20. 20
    Academic Journal
    Mechanism of quantum chaos in molecular nonadiabatic electron dynamics.

    المؤلفون: Takatsuka, Kazuo1 (AUTHOR) kaztak@fukui.kyoto-u.ac.jp, Arasaki, Yasuki1 (AUTHOR) yasuki.arasaki@fukui.kyoto-u.ac.jp

    المصدر: Journal of Chemical Physics. 8/14/2024, Vol. 161 Issue 6, p1-6. 6p.

    مصطلحات موضوعية: *QUANTUM chaos, *EXCITED states, *WAVE packets, *ELECTRONS, *BORON


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