Works matching DE "BORN-Oppenheimer approximation"
Results: 125
On the Appearance of Time in the Classical Limit of Quantum Gravity.
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- Universe (2218-1997), 2023, v. 9, n. 2, p. 85, doi. 10.3390/universe9020085
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PRAGMATIC REALISM IN CHEMISTRY.
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- Cogency: Journal of Reasoning & Argumentation, 2023, v. 15, n. 1, p. 104
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Binding of muonated hydrogen molecules and Born–Oppenheimer approximation revisited.
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- Canadian Journal of Physics, 2020, v. 98, n. 4, p. 379, doi. 10.1139/cjp-2019-0061
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Electronic structure of SrO molecules with dipole moments and ro-vibrational calculations.
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- Canadian Journal of Physics, 2017, v. 95, n. 6, p. 610, doi. 10.1139/cjp-2016-0879
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Imaging of ultrafast electron motion in molecules.
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- Canadian Journal of Physics, 2011, v. 89, n. 6, p. 703, doi. 10.1139/p11-039
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Fourier transform microwave spectrum of and Born–Oppenheimer breakdown effects in tungsten monoxide, WO.
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- Canadian Journal of Physics, 2009, v. 87, n. 5, p. 567, doi. 10.1139/P08-107
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Molecular scattering and Born–Oppenheimer approximation.
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- Journal of the London Mathematical Society, 2010, v. 81, n. 1, p. 202, doi. 10.1112/jlms/jdp067
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Molecular Eigensolution Symmetry Analysis and Fine Structure.
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- International Journal of Molecular Sciences, 2013, v. 14, n. 1, p. 714, doi. 10.3390/ijms14010714
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Study of Potential Energy Surfaces towards Global Reaction Route Mapping.
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- Chemical Record, 2016, v. 16, n. 5, p. 2198, doi. 10.1002/tcr.201500284
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Spontaneous Decay of Resonant Energy Levels for Molecules with Moving Nuclei.
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- Communications in Mathematical Physics, 2012, v. 315, n. 3, p. 699, doi. 10.1007/s00220-012-1547-3
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Cosmological Constraints on a Temporal Variation of the Proton-to-electron Mass Ratio based on the Red-shifted Lines of Extragalactic Argonium.
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- Astronomy Reports, 2021, v. 65, n. 12, p. 1211, doi. 10.1134/S1063772921120076
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Explicit Green operators for quantum mechanical Hamiltonians. II. Edge-type singularities of the helium atom.
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- Asian-European Journal of Mathematics, 2020, v. 13, n. 07, p. N.PAG, doi. 10.1142/S1793557120501223
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Resonance free domain for a system of Schrödinger operators with energy-level crossings.
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- Reviews in Mathematical Physics, 2021, v. 33, n. 3, p. N.PAG, doi. 10.1142/S0129055X21500070
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Some Remarks on the Mass Density Distribution.
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- Croatica Chemica Acta, 2013, v. 86, n. 4, p. 531, doi. 10.5562/cca2312
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Coherent electron-nuclear coupling in oligothiophene molecular wires.
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- Nature Physics, 2010, v. 6, n. 12, p. 975, doi. 10.1038/nphys1802
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Why molecular structure cannot be strictly reduced to quantum mechanics.
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- Foundations of Chemistry, 2019, v. 21, n. 1, p. 31, doi. 10.1007/s10698-018-9310-2
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Matters are not so clear on the physical side.
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- Foundations of Chemistry, 2010, v. 12, n. 2, p. 159, doi. 10.1007/s10698-010-9090-9
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Structural Properties of Liquid Water and Ice Ih from Ab-Initio Molecular Dynamics with a Non-Local Correlation Functional.
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- Energies (19961073), 2015, v. 8, n. 9, p. 9383, doi. 10.3390/en8099383
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On Gravitational Fluctuations and the Semiclassical Limit in Minisuperspace Models.
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- International Journal of Modern Physics D: Gravitation, Astrophysics & Cosmology, 2000, v. 9, n. 5, p. 511, doi. 10.1142/S0218271800000517
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Increasing the time step with mass scaling in Born-Oppenheimer ab initio QM/MM molecular dynamics simulations.
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- Journal of Computational Chemistry, 2009, v. 30, n. 16, p. 2706, doi. 10.1002/jcc.21296
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Born–Oppenheimer Expansion: From Muon Distribution to Dissipation in Fission.
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- Physics of Atomic Nuclei, 2000, v. 63, n. 5, p. 729, doi. 10.1134/1.855699
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Asymptotic Solution of A Multichannel Scattering Problem with A Nonadiabatic Coupling.
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- Theoretical & Mathematical Physics, 2018, v. 195, n. 3, p. 874, doi. 10.1134/S0040577918060065
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On the Closed Interpolation Equation of State for a Simple Liquid.
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- High Temperature, 2023, v. 61, n. 3, p. 320, doi. 10.1134/S0018151X23030021
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Breakdown of Born-Oppenheimer Approximation as a Physical Mechanism for Ultrafast Hydrogen Migrations in Strong Laser Driven Molecules.
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- Journal of the Chinese Chemical Society, 2013, v. 60, n. 10, p. 1207, doi. 10.1002/jccs.201300077
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Time-dependent electron momenta from Born-Oppenheimer calculations.
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- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 6, p. 1, doi. 10.1140/epjb/e2018-90113-x
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Qualitative assessment of ultra-fast non-Grotthuss proton dynamics in S excited state of liquid HO from ab initio time-dependent density functional theory.
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- European Physical Journal B: Condensed Matter, 2017, v. 90, n. 11, p. 1, doi. 10.1140/epjb/e2017-80329-7
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KINETIC ENERGY FUNCTIONALS:: EXACT ONES FROM ANALYTIC MODEL WAVE FUNCTIONS AND APPROXIMATE ONES IN ORBITAL-FREE MOLECULAR DYNAMICS.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2010, v. 24, n. 25/26, p. 5139, doi. 10.1142/S0217979210057274
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Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse.
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- Journal of Statistical Physics, 2014, v. 154, n. 1/2, p. 522, doi. 10.1007/s10955-013-0820-y
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Dynamics study of a three-fold pseudo-Jahn-Teller system using the extended Longuet-Higgins formalism.
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- Journal of Chemical Sciences, 2012, v. 124, n. 1, p. 115, doi. 10.1007/s12039-011-0192-2
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Mechanistic Insight into the Reaction of Organic Acids with SO<sub>3</sub> at the Air–Water Interface.
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- Angewandte Chemie, 2019, v. 131, n. 25, p. 8439, doi. 10.1002/ange.201900534
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Electron localization following attosecond molecular photoionization.
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- Nature, 2010, v. 465, n. 7299, p. 763, doi. 10.1038/nature09084
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Isotopically Invariant Dunham Parameters and the Potential Function of the HCl Molecule.
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- Optics & Spectroscopy, 2002, v. 92, n. 6, p. 871, doi. 10.1134/1.1490024
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On the Nature of the Geometrical Symmetry Groups in the Quantum Intramolecular Dynamics.
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- Optics & Spectroscopy, 2002, v. 92, n. 5, p. 692, doi. 10.1134/1.1481133
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Symmetry of Torsional Motion of Identical Tops in the CH[sub 2]D–CH[sub 2]D Isotopic Form of the Ethane Molecule.
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- Optics & Spectroscopy, 2001, v. 91, n. 1, p. 66, doi. 10.1134/1.1388326
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Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. IV. Formal Analysis of the Deviations from Born-Oppenheimer Dynamics.
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- Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 191, doi. 10.1560/GLW2-8NVQ-4N6T-6C92
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Calculation of thermal effects in the photodesorption of NO from NiO(100).
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- Applied Physics A: Materials Science & Processing, 2007, v. 88, n. 3, p. 571, doi. 10.1007/s00339-007-4055-0
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Electron–phonon induced conductance gaps in carbon nanotubes.
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- Applied Physics A: Materials Science & Processing, 2007, v. 86, n. 2, p. 283, doi. 10.1007/s00339-006-3760-4
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Toward a measurement of the effective gauge field and the Born–Huang potential with atoms in chip traps.
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- European Physical Journal D (EPJ D), 2022, v. 76, n. 8, p. 1, doi. 10.1140/epjd/s10053-022-00461-z
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Time-dependent variational dynamics for nonadiabatically coupled nuclear and electronic quantum wavepackets in molecules.
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- European Physical Journal D (EPJ D), 2021, v. 75, n. 9, p. 1, doi. 10.1140/epjd/s10053-021-00263-9
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Frozen-planet resonances in doubly excited helium atom; adiabatic approach.
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- European Physical Journal D (EPJ D), 2020, v. 74, n. 7, p. 1, doi. 10.1140/epjd/e2020-10202-9
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Reactive scattering for H<sup>+</sup> + H<sub>2</sub>: non-Born-Oppenheimer classical investigation.
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- European Physical Journal D (EPJ D), 2013, v. 67, n. 12, p. 1, doi. 10.1140/epjd/e2013-40516-4
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Diffusion and localization of cold atoms in 3D optical speckle.
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- European Physical Journal D (EPJ D), 2010, v. 59, n. 2, p. 249, doi. 10.1140/epjd/e2010-00141-5
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Calculation by plane wave Born approximations of electron-impact ionization of silver and copper.
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- European Physical Journal D (EPJ D), 2008, v. 48, n. 1, p. 67, doi. 10.1140/epjd/e2008-00071-9
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Improved potentials and Born-Oppenheimer corrections by new measurements of transitions of <sup>129</sup>I<sub>2</sub> and <sup>127</sup>I <sup>129</sup>I in the B<sup>3</sup> $\Pi_{\rm O^+_u}$ - X<sup>1</sup> $\Sigma^+_{\rm g}$ band system
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- European Physical Journal D (EPJ D), 2008, v. 47, n. 2, p. 171, doi. 10.1140/epjd/e2008-00045-y
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Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion.
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- Journal of Mathematical Chemistry, 2015, v. 53, n. 2, p. 590, doi. 10.1007/s10910-014-0436-8
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Time in quantum theory, the Wheeler–DeWitt equation and the Born–Oppenheimer approximation.
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- International Journal of Modern Physics D: Gravitation, Astrophysics & Cosmology, 2019, v. 28, n. 6, p. N.PAG, doi. 10.1142/S0218271819500731
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Power spectrum for perturbations in an inflationary model for a closed universe.
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- General Relativity & Gravitation, 2022, v. 54, n. 4, p. 1, doi. 10.1007/s10714-022-02918-3
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Semiclassical approximation of the Wheeler-DeWitt equation: arbitrary orders and the question of unitarity.
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- General Relativity & Gravitation, 2018, v. 50, n. 6, p. 1, doi. 10.1007/s10714-018-2390-4
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First-principles computational studies of the torsional potential energy surface of the sec-butyl radical.
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- Canadian Journal of Chemistry, 2011, v. 89, n. 12, p. 1469, doi. 10.1139/v11-109
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RKR-type inversion of the diatomic energy shifts due to breakdown of the Born–Oppenheimer approximation.
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- Canadian Journal of Chemistry, 2004, v. 82, n. 6, p. 820, doi. 10.1139/V04-049
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