Works matching DE "BORN-Oppenheimer approximation"
Results: 125
Circularly Polarized Light Probes Excited‐State Delocalization in Rectangular Ladder‐type Pentaphenyl Helices.
- Published in:
- Angewandte Chemie, 2023, v. 135, n. 2, p. 1, doi. 10.1002/ange.202211946
- By:
- Publication type:
- Article
Tomáš Šolomek.
- Published in:
- Angewandte Chemie, 2022, v. 134, n. 43, p. 1, doi. 10.1002/ange.202212641
- Publication type:
- Article
Mechanistic Insight into the Reaction of Organic Acids with SO<sub>3</sub> at the Air–Water Interface.
- Published in:
- Angewandte Chemie, 2019, v. 131, n. 25, p. 8439, doi. 10.1002/ange.201900534
- By:
- Publication type:
- Article
Asymptotic Solution of A Multichannel Scattering Problem with A Nonadiabatic Coupling.
- Published in:
- Theoretical & Mathematical Physics, 2018, v. 195, n. 3, p. 874, doi. 10.1134/S0040577918060065
- By:
- Publication type:
- Article
Predicted existence of H[sub 3][sup ++] molecular ions in strong magnetic fields.
- Published in:
- JETP Letters, 1999, v. 69, n. 11, p. 844, doi. 10.1134/1.568100
- By:
- Publication type:
- Article
Time-dependent electron momenta from Born-Oppenheimer calculations.
- Published in:
- European Physical Journal B: Condensed Matter, 2018, v. 91, n. 6, p. 1, doi. 10.1140/epjb/e2018-90113-x
- By:
- Publication type:
- Article
Qualitative assessment of ultra-fast non-Grotthuss proton dynamics in S excited state of liquid HO from ab initio time-dependent density functional theory.
- Published in:
- European Physical Journal B: Condensed Matter, 2017, v. 90, n. 11, p. 1, doi. 10.1140/epjb/e2017-80329-7
- By:
- Publication type:
- Article
Resonance free domain for a system of Schrödinger operators with energy-level crossings.
- Published in:
- Reviews in Mathematical Physics, 2021, v. 33, n. 3, p. N.PAG, doi. 10.1142/S0129055X21500070
- By:
- Publication type:
- Article
Excitation of muonic molecules ddμ and dtμ by super-intense attosecond soft X-ray laser pulses: Shaped post-laser-pulse muonic oscillations and enhancement of nuclear fusion.
- Published in:
- International Journal of Modern Physics E: Nuclear Physics, 2014, v. 23, n. 9, p. -1, doi. 10.1142/S0218301314300148
- By:
- Publication type:
- Article
The Nuclear Born–Oppenheimer Method Applied to Nuclear Collective Motion.
- Published in:
- International Journal of Modern Physics E: Nuclear Physics, 2002, v. 11, n. 3, p. 231, doi. 10.1142/S0218301302000818
- By:
- Publication type:
- Article
Molecular Resonance Raman and Rayleigh Scattering Stimulated by a Short Laser Pulse.
- Published in:
- Journal of Statistical Physics, 2014, v. 154, n. 1/2, p. 522, doi. 10.1007/s10955-013-0820-y
- By:
- Publication type:
- Article
First-principles computational studies of the torsional potential energy surface of the sec-butyl radical.
- Published in:
- Canadian Journal of Chemistry, 2011, v. 89, n. 12, p. 1469, doi. 10.1139/v11-109
- By:
- Publication type:
- Article
RKR-type inversion of the diatomic energy shifts due to breakdown of the Born–Oppenheimer approximation.
- Published in:
- Canadian Journal of Chemistry, 2004, v. 82, n. 6, p. 820, doi. 10.1139/V04-049
- By:
- Publication type:
- Article
H2 hitting on graphene supported palladium cluster: molecular dynamics simulations.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 1, p. 1, doi. 10.1007/s00214-016-2033-3
- By:
- Publication type:
- Article
NMR shielding constants in hydrogen molecule isotopomers.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 129, n. 3-5, p. 325, doi. 10.1007/s00214-010-0786-7
- By:
- Publication type:
- Article
Atoms in molecules: beyond Born-Oppenheimer paradigm.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2011, v. 129, n. 2, p. 235, doi. 10.1007/s00214-011-0927-7
- By:
- Publication type:
- Article
Density bifunctional theory using the mass density and the charge density.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2006, v. 115, n. 4, p. 253, doi. 10.1007/s00214-005-0019-7
- By:
- Publication type:
- Article
Electron localization following attosecond molecular photoionization.
- Published in:
- Nature, 2010, v. 465, n. 7299, p. 763, doi. 10.1038/nature09084
- By:
- Publication type:
- Article
Light–matter interaction beyond Born–Oppenheimer approximation mediated by stimulated phonon polaritons.
- Published in:
- Communications Physics, 2022, v. 5, n. 1, p. 1, doi. 10.1038/s42005-022-01080-1
- By:
- Publication type:
- Article
Mechanisms for long-range forces in the “three atoms+electron” system.
- Published in:
- Journal of Experimental & Theoretical Physics, 1997, v. 84, n. 4, p. 678, doi. 10.1134/1.558200
- By:
- Publication type:
- Article
Parametric Broadening of the Electronic-Vibrational Spectrum of a Molecule Caused by Zero-Point Vibrations and Thermal Fluctuations of Interatomic Bonds.
- Published in:
- Doklady Physics, 2021, v. 66, n. 10, p. 277, doi. 10.1134/S1028335821100025
- By:
- Publication type:
- Article
The Schrödinger group in molecular quantum mechanics: beyond the Born–Oppenheimer approximation.
- Published in:
- Molecular Physics, 2011, v. 109, n. 20, p. 2423, doi. 10.1080/00268976.2011.617319
- By:
- Publication type:
- Article
Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets.
- Published in:
- Molecular Physics, 2011, v. 109, n. 19, p. 2317, doi. 10.1080/00268976.2011.579580
- By:
- Publication type:
- Article
Dynamics of electrons and nuclei.
- Published in:
- Molecular Physics, 2010, v. 108, n. 21-23, p. 3195, doi. 10.1080/00268976.2010.494630
- By:
- Publication type:
- Article
Studies on rotational spectra of the ground states of ZnO, ZnS, SiSe and SiTe isotopic molecules using an isotopic error compensation approach.
- Published in:
- Molecular Physics, 2010, v. 108, n. 11, p. 1491, doi. 10.1080/00268971003742839
- By:
- Publication type:
- Article
Quantum-chemical calculation of Born-Oppenheimer breakdown parameters to rotational constants.
- Published in:
- Molecular Physics, 2010, v. 108, n. 3/4, p. 269, doi. 10.1080/00268970903433507
- By:
- Publication type:
- Article
Is the adiabatic approximation sufficient to account for the post-Born-Oppenheimer effects on molecular electric dipole moments?
- Published in:
- Molecular Physics, 2009, v. 107, n. 8-12, p. 1153, doi. 10.1080/00268970902780262
- By:
- Publication type:
- Article
Adiabatic molecular dynamics: two-body and many-body aspects.
- Published in:
- Molecular Physics, 2008, v. 106, n. 2-4, p. 349, doi. 10.1080/00268970701823198
- By:
- Publication type:
- Article
Ab initio spectroscopy of D 2 H + near dissociation.
- Published in:
- Molecular Physics, 2006, v. 104, n. 16/17, p. 2801, doi. 10.1080/00268970600868641
- By:
- Publication type:
- Article
Intermolecular potential energy extrapolation method for weakly bound systems: Ar 2 , Ar-H 2 and Ar-HF dimers.
- Published in:
- Molecular Physics, 2004, v. 102, n. 6, p. 567, doi. 10.1080/00268970410001683852
- By:
- Publication type:
- Article
Nuclear magnetic shielding surfaces for CH3 F, CH3 Cl, and CH3 Br.
- Published in:
- Molecular Physics, 1997, v. 92, n. 4, p. 773, doi. 10.1080/002689797170040
- By:
- Publication type:
- Article
Explicitly correlated Gaussian functions in variational calculations: the ground state of helium dimer.
- Published in:
- Molecular Physics, 1997, v. 91, n. 5, p. 909, doi. 10.1080/002689797171012
- By:
- Publication type:
- Article
Ab initio molecular dynamics simulation of H5 O2+ and H7 O3+ gas phase clusters based on density functional theory.
- Published in:
- Molecular Physics, 1997, v. 91, n. 5, p. 963, doi. 10.1080/002689797171076
- By:
- Publication type:
- Article
On Gravitational Fluctuations and the Semiclassical Limit in Minisuperspace Models.
- Published in:
- International Journal of Modern Physics D: Gravitation, Astrophysics & Cosmology, 2000, v. 9, n. 5, p. 511, doi. 10.1142/S0218271800000517
- By:
- Publication type:
- Article
Influence of thermostats on the calculations of heat capacities from Born-Oppenheimer molecular dynamics simulations.
- Published in:
- International Journal of Quantum Chemistry, 2010, v. 110, n. 12, p. 2172, doi. 10.1002/qua.22518
- By:
- Publication type:
- Article
About the Ontology of Quantum Chemistry.
- Published in:
- Tópicos. Revista de Filosofía, 2020, n. 58, p. 325, doi. 10.21555/top.v0i58.1045
- By:
- Publication type:
- Article
Why molecular structure cannot be strictly reduced to quantum mechanics.
- Published in:
- Foundations of Chemistry, 2019, v. 21, n. 1, p. 31, doi. 10.1007/s10698-018-9310-2
- By:
- Publication type:
- Article
Matters are not so clear on the physical side.
- Published in:
- Foundations of Chemistry, 2010, v. 12, n. 2, p. 159, doi. 10.1007/s10698-010-9090-9
- By:
- Publication type:
- Article
Cosmological Constraints on a Temporal Variation of the Proton-to-electron Mass Ratio based on the Red-shifted Lines of Extragalactic Argonium.
- Published in:
- Astronomy Reports, 2021, v. 65, n. 12, p. 1211, doi. 10.1134/S1063772921120076
- By:
- Publication type:
- Article
Adiabatic theory for high Rydberg molecules.
- Published in:
- Journal of the Chinese Chemical Society, 2023, v. 70, n. 3, p. 232, doi. 10.1002/jccs.202200394
- By:
- Publication type:
- Article
Power spectrum for perturbations in an inflationary model for a closed universe.
- Published in:
- General Relativity & Gravitation, 2022, v. 54, n. 4, p. 1, doi. 10.1007/s10714-022-02918-3
- By:
- Publication type:
- Article
Semiclassical approximation of the Wheeler-DeWitt equation: arbitrary orders and the question of unitarity.
- Published in:
- General Relativity & Gravitation, 2018, v. 50, n. 6, p. 1, doi. 10.1007/s10714-018-2390-4
- By:
- Publication type:
- Article
The ion H in a strong magnetic field.
- Published in:
- Astrophysics & Space Science, 2007, v. 308, n. 1-4, p. 499, doi. 10.1007/s10509-007-9355-5
- By:
- Publication type:
- Article
Spontaneous Decay of Resonant Energy Levels for Molecules with Moving Nuclei.
- Published in:
- Communications in Mathematical Physics, 2012, v. 315, n. 3, p. 699, doi. 10.1007/s00220-012-1547-3
- By:
- Publication type:
- Article
Metastability of copper(II) organic compounds: Molecular dynamics simulation.
- Published in:
- Doklady Physical Chemistry, 2012, v. 446, n. 1, p. 145, doi. 10.1134/S0012501612090023
- By:
- Publication type:
- Article
PRAGMATIC REALISM IN CHEMISTRY.
- Published in:
- Cogency: Journal of Reasoning & Argumentation, 2023, v. 15, n. 1, p. 104
- By:
- Publication type:
- Article
Coulomb repulsion, point-like nuclear charges, Dirac paradox, soft nuclear charge density and hypermultiplet nuclear repulsion.
- Published in:
- Journal of Mathematical Chemistry, 2015, v. 53, n. 2, p. 590, doi. 10.1007/s10910-014-0436-8
- By:
- Publication type:
- Article
Enfolded conformational spaces: definition of the chemical quantum mechanical multiverse under Born-Oppenheimer approximation.
- Published in:
- Journal of Mathematical Chemistry, 2013, v. 51, n. 3, p. 1092, doi. 10.1007/s10910-012-0136-1
- By:
- Publication type:
- Article
Particle correlation from uncorrelated non Born-Oppenheimer SCF wavefunctions.
- Published in:
- Journal of Mathematical Chemistry, 2013, v. 51, n. 3, p. 1023, doi. 10.1007/s10910-012-0133-4
- By:
- Publication type:
- Article
Comment on: "Energy spectrum of selected diatomic molecules (H2, CO, I2, NO) by the resolution of Schrödinger equation for combined potentials via NUFA method".
- Published in:
- Journal of Molecular Modeling, 2025, v. 31, n. 2, p. 1, doi. 10.1007/s00894-024-06257-9
- By:
- Publication type:
- Article