المؤلفون: Nikitin, Andrei, Protasevich, Alexander, Rodina, Alena, Rey, Michael, M., Tajti, Attila, Tyuterev, Vladimir

المساهمون: V.E. Zuev Institute of Atmospheric Optics (IAO), Siberian Branch of the Russian Academy of Sciences (SB RAS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Eötvös Loránd University (ELTE), Tomsk State University Tomsk

المصدر: ISSN: 0022-4073 ; Journal of Quantitative Spectroscopy and Radiative Transfer ; https://hal.science/hal-03841353 ; Journal of Quantitative Spectroscopy and Radiative Transfer, 2022, 292, pp.108349. ⟨10.1016/j.jqsrt.2022.108349⟩.

مصطلحات موضوعية: acetylene, potential energy surface, vibrational energy levels, kinetic energy operator, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-03841353; https://hal.science/hal-03841353; https://hal.science/hal-03841353/document; https://hal.science/hal-03841353/file/C2H2_PES.pdf

الاتاحة: https://hal.science/hal-03841353
https://hal.science/hal-03841353/document
https://hal.science/hal-03841353/file/C2H2_PES.pdf
https://doi.org/10.1016/j.jqsrt.2022.108349

المؤلفون: Nikitin, Andrei, V, Protasevich, Alexander, E, Rodina, Alena, A, Rey, Michael, Tajti, Attila, Tyuterev, Vladimir G.

المساهمون: V.E. Zuev Institute of Atmospheric Optics (IAO), Siberian Branch of the Russian Academy of Sciences (SB RAS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Eötvös Loránd University (ELTE), Laboratory of Quantum Mechanics of Molecules and Radiative Processes, Tomsk State University Tomsk

المصدر: ISSN: 0022-4073 ; Journal of Quantitative Spectroscopy and Radiative Transfer ; https://hal.science/hal-03442408 ; Journal of Quantitative Spectroscopy and Radiative Transfer, 2021, 260, pp.107478. ⟨10.1016/j.jqsrt.2020.107478⟩.

مصطلحات موضوعية: formaldehyde, potential energy surface, vibrational energy levels, kinetic energy operator, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry

Relation: hal-03442408; https://hal.science/hal-03442408; https://hal.science/hal-03442408/document; https://hal.science/hal-03442408/file/COH2_PES_2020_.pdf

الاتاحة: https://hal.science/hal-03442408
https://hal.science/hal-03442408/document
https://hal.science/hal-03442408/file/COH2_PES_2020_.pdf
https://doi.org/10.1016/j.jqsrt.2020.107478

المؤلفون: Vancsó, Péter, Mayer, Alexandre, Nemes-Incze, Peter, Márk, Geza

المصدر: Vancsó , P , Mayer , A , Nemes-Incze , P & Márk , G 2021 , ' Wave packet dynamical simulation of quasiparticle interferences in 2D materials ' , Applied Sciences , vol. 11 , no. 11 , 4730 , pp. 4730 . https://doi.org/10.3390/app11114730

مصطلحات موضوعية: graphene, pseudopotential, electronic scattering, defect, kinetic energy operator, Wave packet dynamics, Transport properties, Quasiparticle interference

وصف الملف: application/pdf

الاتاحة: https://researchportal.unamur.be/en/publications/fa6832e2-8607-4549-b3eb-87e768ef8cb2
https://doi.org/10.3390/app11114730
https://pure.unamur.be/ws/files/54897638/Wave_Packet_Dynamical_Simulation_of_Quasiparticle_Interferences_in_2D_Materials.pdf
http://www.scopus.com/inward/record.url?scp=85107009419&partnerID=8YFLogxK

المؤلفون: Rey, Michael, M.

المساهمون: Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS)

المصدر: ISSN: 0021-9606.

مصطلحات موضوعية: Kinetic energy operator, curvilinear coordinates, Semirigid molecules, Symmetry, Irreducible tensor operators, Eckart frame, [PHYS]Physics [physics]

Relation: hal-03563205; https://hal.science/hal-03563205; https://hal.science/hal-03563205/document; https://hal.science/hal-03563205/file/KEO_Curvilinear_rev.pdf

الاتاحة: https://hal.science/hal-03563205
https://hal.science/hal-03563205/document
https://hal.science/hal-03563205/file/KEO_Curvilinear_rev.pdf
https://doi.org/10.1063/1.5109482

المؤلفون: Mellor, Thomas M.

المساهمون: Yurchenko, Sergey, Tennyson, jonathan

المصدر: Doctoral thesis, UCL (University College London).

مصطلحات موضوعية: Ethane, kinetic energy operator, marvel, molecular embeddings, molecular spectroscopy, molecular symmetry, symmetry, thioformaldehyde, variational calculations, rovibrational calculations

وصف الملف: text

Relation: https://discovery.ucl.ac.uk/id/eprint/10171757/5/main.pdf; https://discovery.ucl.ac.uk/id/eprint/10171757/

الاتاحة: https://discovery.ucl.ac.uk/id/eprint/10171757/5/main.pdf
https://discovery.ucl.ac.uk/id/eprint/10171757/

المؤلفون: A.E. Protasevich, A.V. Nikitin

المصدر: Optika atmosfery i okeana. 34:860-864

مصطلحات موضوعية: Physics, Classical mechanics, Orthogonal coordinates, Molecule, Kinetic energy operator, Type (model theory)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::217109a22659b2c5d74f2f255746ef6a
https://doi.org/10.15372/aoo20211105

المؤلفون: Michael Messina, Taylor A. Rossman, Zachary P. Parks

المصدر: Journal of Chemical Education. 97:1026-1034

مصطلحات موضوعية: Science instruction, Computer based learning, 010405 organic chemistry, Quantum dynamics, 05 social sciences, 050301 education, Finite difference algorithm, General Chemistry, 01 natural sciences, Expression (mathematics), 0104 chemical sciences, Education, Schrödinger equation, symbols.namesake, symbols, Applied mathematics, Kinetic energy operator, 0503 education, Energy (signal processing)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9ec8ed19efa4c5fc205d845f86b0f056
https://doi.org/10.1021/acs.jchemed.9b01138

المؤلفون: Sergei N. Yurchenko, T. Mellor

المصدر: Proceedings of the 2021 International Symposium on Molecular Spectroscopy.

مصطلحات موضوعية: Line list, Applied mathematics, Construct (python library), Kinetic energy operator, Mathematics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::cf80a585546f429a7f7437940c0521b6
https://doi.org/10.15278/isms.2021.tf08

المؤلفون: Michael Rey, Attila Tajti, Alexander E. Protasevich, Alena A. Rodina, Vladimir G. Tyuterev, Andrei Nikitin

المساهمون: V.E. Zuev Institute of Atmospheric Optics (IAO), Siberian Branch of the Russian Academy of Sciences (SB RAS), Groupe de spectrométrie moléculaire et atmosphérique (GSMA), Université de Reims Champagne-Ardenne (URCA)-Centre National de la Recherche Scientifique (CNRS), Eötvös Loránd University (ELTE), Tomsk State University [Tomsk]

المصدر: Journal of Quantitative Spectroscopy and Radiative Transfer
Journal of Quantitative Spectroscopy and Radiative Transfer, Elsevier, 2021, 260, pp.107478. ⟨10.1016/j.jqsrt.2020.107478⟩
Journal of Quantitative Spectroscopy and Radiative Transfer. 2021. Vol. 260. P. 107478 (1-13)

مصطلحات موضوعية: поверхность потенциальной энергии, 010504 meteorology & atmospheric sciences, Ab initio, vibrational energy levels, Electronic structure, 01 natural sciences, Molecular physics, Force field (chemistry), оператор кинетической энергии, вибрационная энергия, формальдегид, Ab initio quantum chemistry methods, Physics::Atomic and Molecular Clusters, Isotopologue, Physics::Chemical Physics, Spectroscopy, 0105 earth and related environmental sciences, Physics, Radiation, kinetic energy operator, Potential energy, Atomic and Molecular Physics, and Optics, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Potential energy surface, Normal coordinates, formaldehyde, potential energy surface

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d3fbe8e1f566f73dd585d31563e3ab24
https://hal.archives-ouvertes.fr/hal-03442408/document

المؤلفون: Yassine Chargui, Adel Trablesi, Anis Ben Dhahbi

المصدر: Journal of Applied Mathematics and Physics. :1013-1026

مصطلحات موضوعية: Physics, 010102 general mathematics, Physical system, Supersymmetry, 01 natural sciences, Position dependent, 010305 fluids & plasmas, Schrödinger equation, symbols.namesake, Formalism (philosophy of mathematics), 0103 physical sciences, symbols, Supersymmetric quantum mechanics, Kinetic energy operator, 0101 mathematics, Quantum, Mathematical physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::6c127c3b2989150b23dde4c7c25ccff4
https://doi.org/10.4236/jamp.2019.75068

المؤلفون: M. V. Khoma, Ralph Jaquet

المصدر: Journal of Mathematical Chemistry. 57:701-725

مصطلحات موضوعية: Physics, Work (thermodynamics), 010304 chemical physics, Basis (linear algebra), Applied Mathematics, Triatomic molecule, 010102 general mathematics, General Chemistry, 01 natural sciences, Diatomic molecule, Quantum mechanics, 0103 physical sciences, Physics::Atomic and Molecular Clusters, Kinetic energy operator, Limit (mathematics), Perturbation theory (quantum mechanics), Physics::Chemical Physics, 0101 mathematics, Adiabatic process

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::763aed1a4a77832fe1fb480ef968808b
https://doi.org/10.1007/s10910-018-0979-1

المؤلفون: L. A. Gribov

المصدر: Journal of Applied Spectroscopy. 86:708-710

مصطلحات موضوعية: Quantum chemical, Physics, Natural coordinates, 010401 analytical chemistry, 02 engineering and technology, Expression (computer science), 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Quantum chemistry, 0104 chemical sciences, Schrödinger equation, symbols.namesake, Generalized coordinates, Classical mechanics, symbols, Molecule, Kinetic energy operator, 0210 nano-technology, Spectroscopy

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e927f36880ee4135f7a55c1885dd6ce0
https://doi.org/10.1007/s10812-019-00883-5

المؤلفون: Masoud Alimohammadi, L. Fortunato, A. Vitturi

المصدر: The European Physical Journal Plus. 134

مصطلحات موضوعية: Physics, 010308 nuclear & particles physics, Complex system, General Physics and Astronomy, 01 natural sciences, Potential energy, symbols.namesake, medicine.anatomical_structure, Excited state, Quantum mechanics, 0103 physical sciences, medicine, symbols, Kinetic energy operator, 010306 general physics, Hamiltonian (quantum mechanics), Nucleus

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::675a8e3f2105faabe95fa913048282f5
https://doi.org/10.1140/epjp/i2019-12923-4

المؤلفون: Hartig, Michael

المساهمون: Centre de Physique Théorique - UMR 7332 (CPT), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), CPT - E8 Dynamique quantique et analyse spectrale, Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), Université de Toulon, Jean-Marie Barbaroux

المصدر: Physique mathématique [math-ph]. Université de Toulon, 2019. Français. ⟨NNT : 2019TOUL0009⟩

مصطلحات موضوعية: Pauli exclusion principle, Erreur de localisation, Energie cinétique pseudo-relativiste, Pseudo-relativistic kinetic energy operator, [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph], Van der Waals-London forces, Développement asymptotique, Asymptotic expansion, Localization error, Loi de Van der Waals-London, Principe d'exclusion de Pauli

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::caa176eaffce73b7c38be6176294d5a5
https://tel.archives-ouvertes.fr/tel-02494777

المؤلفون: J. García-Ravelo, J. Avendaño, A. Bernal, R. Valencia-Torres

المصدر: Physica Scripta. 95:075207

مصطلحات موضوعية: Physics, Heterojunction, Condensed Matter Physics, Laser, 01 natural sciences, Position dependent, Atomic and Molecular Physics, and Optics, Spectral line, 010305 fluids & plasmas, law.invention, Effective mass (solid-state physics), law, 0103 physical sciences, Boundary value problem, Kinetic energy operator, Atomic physics, Reflection coefficient, 010306 general physics, Mathematical Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ae46c5cd9c036ef7d08334bfbd2ecc59
https://doi.org/10.1088/1402-4896/ab8f43

المؤلفون: David Lauvergnat, André Nauts

المساهمون: Institut de la matière condensée et des nanosciences / Institute of Condensed Matter and Nanosciences (IMCN), Université Catholique de Louvain = Catholic University of Louvain (UCL), Laboratoire de Chimie Physique D'Orsay (LCPO), Université Paris-Sud - Paris 11 (UP11)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS)

المصدر: Molecular Physics
Molecular Physics, Taylor & Francis, 2018, 116 (23-24), pp.3701-3709. ⟨10.1080/00268976.2018.1473652⟩

مصطلحات موضوعية: Physics, Curvilinear coordinates, 010304 chemical physics, Quantum dynamics, Biophysics, Order (ring theory), 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Action (physics), 0104 chemical sciences, Separable space, [CHIM.THEO]Chemical Sciences/Theoretical and/or physical chemistry, Classical mechanics, 0103 physical sciences, Kinetic energy operator, Physical and Theoretical Chemistry, Wave function, Molecular Biology, ComputingMilieux_MISCELLANEOUS, Resolution (algebra)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ddd3d9216376269b92774b5856439822
https://hal.archives-ouvertes.fr/hal-02343836

المؤلفون: Kyoung Koo Baeck

المصدر: International Journal of Quantum Chemistry. 116:634-643

مصطلحات موضوعية: Sequence, 010304 chemical physics, Chemistry, Wave packet, Polyatomic ion, 010402 general chemistry, Condensed Matter Physics, 01 natural sciences, Atomic and Molecular Physics, and Optics, 0104 chemical sciences, Perspective (geometry), Quantum mechanics, 0103 physical sciences, Potential energy surface, Kinetic energy operator, Statistical physics, Physical and Theoretical Chemistry, Quantum

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::fe19e5518cd215b6af93b9b5999e6c95
https://doi.org/10.1002/qua.25088

المؤلفون: Hartig, Michael

المساهمون: Centre de Physique Théorique - UMR 7332 (CPT), Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), CPT - E8 Dynamique quantique et analyse spectrale, Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS)-Aix Marseille Université (AMU)-Université de Toulon (UTLN)-Centre National de la Recherche Scientifique (CNRS), Université de Toulon, Jean-Marie Barbaroux

المصدر: https://theses.hal.science/tel-02494777 ; Physique mathématique [math-ph]. Université de Toulon, 2019. Français. ⟨NNT : 2019TOUL0009⟩.

مصطلحات موضوعية: Van der Waals-London forces, Pseudo-relativistic kinetic energy operator, Localization error, Pauli exclusion principle, Asymptotic expansion, Loi de Van der Waals-London, Energie cinétique pseudo-relativiste, Erreur de localisation, Principe d'exclusion de Pauli, Développement asymptotique, [MATH.MATH-MP]Mathematics [math]/Mathematical Physics [math-ph]

Relation: NNT: 2019TOUL0009; tel-02494777; https://theses.hal.science/tel-02494777; https://theses.hal.science/tel-02494777/document; https://theses.hal.science/tel-02494777/file/2019_Hartig_Michael.pdf

الاتاحة: https://theses.hal.science/tel-02494777
https://theses.hal.science/tel-02494777/document
https://theses.hal.science/tel-02494777/file/2019_Hartig_Michael.pdf

المؤلفون: Hartig, Michael

المساهمون: Toulon, Barbaroux, Jean-Marie

مصطلحات موضوعية: Loi de Van der Waals-London, Energie cinétique pseudo-relativiste, Erreur de localisation, Principe d'exclusion de Pauli, Développement asymptotique, Van der Waals-London forces, Pseudo-relativistic kinetic energy operator, Localization error, Pauli exclusion principle, Asymptotic expansion

Time: 510

Relation: http://www.theses.fr/2019TOUL0009/document

الاتاحة: http://www.theses.fr/2019TOUL0009/document

المؤلفون: Julius P. P. Zauleck, Regina de Vivie-Riedle

المصدر: Journal of chemical theory and computation. 14(1)

مصطلحات موضوعية: Chemical Physics (physics.chem-ph), Quantum Physics, 010304 chemical physics, Computer science, Quantum dynamics, FOS: Physical sciences, Molecular systems, 010402 general chemistry, Grid, 01 natural sciences, Autoencoder, 0104 chemical sciences, Computer Science Applications, Computational chemistry, Physics - Chemical Physics, 0103 physical sciences, Potential energy surface, Kinetic energy operator, Physical and Theoretical Chemistry, Quantum Physics (quant-ph), Algorithm, Subspace topology, Curse of dimensionality

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::efb7e9e4cbe3d344a70a36d587116258
https://pubmed.ncbi.nlm.nih.gov/29236484