Works matching DE "BORN-Oppenheimer approximation"

Results: 125

Tetraquarks in the Born-Oppenheimer approximation.

Published in:

Journal of High Energy Physics, 2025, v. 2025, n. 4, p. 1, doi. 10.1007/JHEP04(2025)004

By:

Germani, D.;
Grinstein, B.;
Polosa, A. D.

Publication type:

Article

On the Closed Interpolation Equation of State for a Simple Liquid.

Published in:

High Temperature, 2023, v. 61, n. 3, p. 320, doi. 10.1134/S0018151X23030021

By:

Bobrov, V. B.

Publication type:

Article

Ab Initio Molecular Dynamics: Propagating the Density Matrix with Gaussian Orbitals. IV. Formal Analysis of the Deviations from Born-Oppenheimer Dynamics.

Published in:

Israel Journal of Chemistry, 2002, v. 42, n. 2/3, p. 191, doi. 10.1560/GLW2-8NVQ-4N6T-6C92

By:

Iyengar, Srinivasan S.;
Schlegel, H. Bernhard;
Voth, Gregory A.;
Millam, John M.;
Scuseria, Gustavo E.;
Frisch, Michael J.

Publication type:

Article

Classical versus quantum features of the Berthelot cosmological model.

Published in:

European Physical Journal C -- Particles & Fields, 2024, v. 84, n. 4, p. 1, doi. 10.1140/epjc/s10052-024-12684-y

By:

Gregoris, Daniele

Publication type:

Article

The pentaquark spectrum from Fermi statistics.

Published in:

European Physical Journal C -- Particles & Fields, 2023, v. 83, n. 5, p. 1, doi. 10.1140/epjc/s10052-023-11492-0

By:

Maiani, Luciano;
Polosa, Antonio D.;
Riquer, Veronica

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:

Witkowski, Andrzej

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:

Monten, Ruben;
Hajgató, Balázs;
Deleuze, Michael S.

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:

Deumens, Erik;
Ohrn, Yngve

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:

Shilin Hou;
Mei Long;
Ronger Zheng;
Weiguo Sun

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:

Gauss, Jurgen;
Puzzarini, Cristina

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:

Hobson, Sandra L.;
Valeev, Edward F.;
Császár, Attila G.;
Stanton, John F.

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:

Band, Y. B.;
Tikhonenkov, I.;
Vardi, A.

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:

Barletta, Paolo;
Silva, Bruno C.;
Munro, James J.;
Tennyson, Jonathan

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:

Bichoutskaia, Elena;
Tulegenov, Akyl S.;
Wheatley, Richard J.

Publication type:

Article

Antiadiabatic Theory of Superconducting State Transition: Phonons and Strong Electron Correlations -- The Old Physics and New Aspects.

Published in:

Advances in Condensed Matter Physics, 2010, p. 1, doi. 10.1155/2010/752943

By:

Bańnacký, Pavol

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:

Casadio, Roberto;
Ashtekar, A.

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:

Hagedorn, George;
Valeev, Edward

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:

Fernández, Francisco M.

Publication type:

Article

Neutron Resonances in Systems of Few Nuclei and Their Possible Role in Radiation of Overdense Stars.

Published in:

Few-Body Systems, 2011, v. 50, n. 1-4, p. 311, doi. 10.1007/s00601-010-0207-4

By:

Takibayev, N.

Publication type:

Article

Critical Bonding in Positive Homonuclear Diatomic Molecular Ions.

Published in:

Few-Body Systems, 2004, v. 34, n. 1-3, p. 143, doi. 10.1007/s00601-004-0037-3

By:

Hogreve, H.

Publication type:

Article

Rigorous Aspects of the Relativistic One-Electron Two-Centre System.

Published in:

Few-Body Systems, 2004, v. 34, n. 1-3, p. 97, doi. 10.1007/s00601-004-0035-5

By:

Briet, P.;
Hogreve, H.

Publication type:

Article

SCCS- radical: Renner-Teller effect and spin-orbit coupling in the X 2Πu electronic state.

Published in:

Journal of the Serbian Chemical Society, 2019, v. 84, n. 8, p. 801, doi. 10.2298/JSC190401033J

By:

JEROSIMIĆ, STANKA. V.;
MITIĆ, MARKO L. J.;
MILOVANOVIĆ, MILAN Z.

Publication type:

Article

Isotope Effects on Chemical Shifts in the Study of Intramolecular Hydrogen Bonds.

Published in:

Molecules, 2015, v. 20, n. 2, p. 2405, doi. 10.3390/molecules20022405

By:

Hansen, Poul Erik

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:

Lu, Yao;
Wu, Qiang;
Xiong, Hao;
Zhou, Xu;
Li, Zhixuan;
Qi, Jiwei;
Xu, Xitan;
Ma, Ruobin;
Fan, Jiang;
Chen, Zhigang;
Xu, Jingjun

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:

Turbiner, A.;
Lopez, J.-C.;
Solis, U. H.

Publication type:

Article

The behaviors of the wave functions of small molecules with negative kinetic energies.

Published in:

Physics Essays, 2023, v. 36, n. 2, p. 140, doi. 10.4006/0836-1398-36.2.140

By:

Huai-Yu Wang

Publication type:

Article

Ab initio adiabatic study of the AgH system.

Published in:

Scientific Reports, 2021, v. 11, n. 1, p. 1, doi. 10.1038/s41598-021-87433-2

By:

Alrebdi, Tahani A.;
Souissi, Hanen;
Alkallas, Fatemah H.;
Aouaini, Fatma

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:

Chao, Sheng D.

Publication type:

Article

Breakdown of Born-Oppenheimer Approximation as a Physical Mechanism for Ultrafast Hydrogen Migrations in Strong Laser Driven Molecules.

Published in:

Journal of the Chinese Chemical Society, 2013, v. 60, n. 10, p. 1207, doi. 10.1002/jccs.201300077

By:

Mineo, Hirobumi;
Chao, Sheng D.;
Kato, Tsuyoshi;
Yamanouchi, Kaoru

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:

Martínez González, Juan Camilo

Publication type:

Article

Tunneling dynamics dictated by the multidimensional conical intersection seam in the πσ*‐mediated photochemistry of heteroaromatic molecules.

Published in:

Bulletin of the Korean Chemical Society, 2022, v. 43, n. 2, p. 150, doi. 10.1002/bkcs.12453

By:

Kim, Junggil;
Woo, Kyung Chul;
Kim, Kuk Ki;
Kang, Minseok;
Kim, Sang Kyu

Publication type:

Article

Heavy-quark spin symmetry breaking in the Born-Oppenheimer approximation.

Published in:

Journal of High Energy Physics, 2023, v. 2023, n. 9, p. 1, doi. 10.1007/JHEP08(2023)219

By:

Bruschini, R.

Publication type:

Article

JABLONSKI DIAGRAM REVISITED.

Published in:

Revista Cubana de Física, 2020, v. 37, n. 2, p. 125

By:

ŠÍPOŠ, R.;
ŠIMA, J.

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:

López Vieyra, Juan C.;
Turbiner, Alexander;
Guevara, Nicolais L.

Publication type:

Article

Electron localization following attosecond molecular photoionization.

Published in:

Nature, 2010, v. 465, n. 7299, p. 763, doi. 10.1038/nature09084

By:

Sansone, G.;
Kelkensberg, F.;
Pérez-Torres, J. F.;
Morales, F.;
Kling, M. F.;
Siu, W.;
Ghafur, O.;
Johnsson, P.;
Swoboda, M.;
Benedetti, E.;
Ferrari, F.;
Lépine, F.;
Sanz-Vicario, J. L.;
Zherebtsov, S.;
Znakovskaya, I.;
L'Huillier, A.;
Ivanov, M. Yu.;
Nisoli, M.;
Martín, F.;
Vrakking, M. J. J.

Publication type:

Article

Structural Properties of Liquid Water and Ice Ih from Ab-Initio Molecular Dynamics with a Non-Local Correlation Functional.

Published in:

Energies (19961073), 2015, v. 8, n. 9, p. 9383, doi. 10.3390/en8099383

By:

English, Niall J.

Publication type:

Article

A MATHEMATICAL THEORY FOR VIBRATIONAL LEVELS ASSOCIATED WITH HYDROGEN BONDS II:: THE NON-SYMMETRIC CASE.

Published in:

Reviews in Mathematical Physics, 2009, v. 21, n. 2, p. 279, doi. 10.1142/S0129055X09003621

By:

HAGEDORN, GEORGE A.;
JOYE, ALAIN

Publication type:

Article

Born–Oppenheimer Approximation for the Brown–Ravenhall Equation.

Published in:

Reviews in Mathematical Physics, 2001, v. 13, n. 8, p. 921, doi. 10.1142/S0129055X01000880

By:

Sordoni, Vania

Publication type:

Article

Analysis of Time Reversible Born-Oppenheimer Molecular Dynamics.

Published in:

Entropy, 2014, v. 16, n. 1, p. 110, doi. 10.3390/e16010110

By:

Lin Lin;
Jianfeng Lu;
Sihong Shao

Publication type:

Article

Nonadiabatic Molecular Dynamics Based on Trajectories.

Published in:

Entropy, 2014, v. 16, n. 1, p. 62, doi. 10.3390/e16010062

By:

de Carvalho, Felipe Franco;
Bouduban, Marine E. F.;
Curchod, Basile F. E.;
Tavernelli, Ivano

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:

González, Juan Camilo Martínez;
Fortin, Sebastian;
Lombardi, Olimpia

Publication type:

Article

The time-dependent Born-Oppenheimer approximation.

Published in:

Modélisation Mathématique et Analyse Numérique, 2007, v. 41, n. 2, p. 297, doi. 10.1051/m2an:2007023

By:

Gianluca Panati;
Herbert Spohn;
Stefan Teufel

Publication type:

Article

Structure and dynamics of electronically excited molecular systems.

Published in:: WIREs: Computational Molecular Science, 2022, v. 12, n. 3, p. 1, doi. 10.1002/wcms.1576
Publication type:: Article

Interference structures in the differential cross-sections for inelastic scattering of NO by Ar.

Published in:

Nature Chemistry, 2011, v. 3, n. 8, p. 597, doi. 10.1038/nchem.1071

By:

Eyles, C. J.;
Brouard, M.;
Yang, C.-H.;
Kłos, J.;
Aoiz, F. J.;
Gijsbertsen, A.;
Wiskerke, A. E.;
Stolte, S.

Publication type:

Article

Our choice from the recent literature.

Published in:: Nature Chemistry, 2011, v. 3, n. 4, p. 264, doi. 10.1038/nchem.1022
Publication type:: Article

Experimental probing of conical intersection dynamics in the photodissociation of thioanisole.

Published in:

Nature Chemistry, 2010, v. 2, n. 8, p. 627, doi. 10.1038/nchem.702

By:

Jeong Sik Lim;
Sang Kyu Kim

Publication type:

Article

Time in quantum theory, the Wheeler–DeWitt equation and the Born–Oppenheimer approximation.

Published in:

International Journal of Modern Physics D: Gravitation, Astrophysics & Cosmology, 2019, v. 28, n. 6, p. N.PAG, doi. 10.1142/S0218271819500731

By:

Kamenshchik, Alexander Yu.;
Tronconi, Alessandro;
Vardanyan, Tereza;
Venturi, Giovanni

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:

Chen, Ya Kun;
Wang, Yan Alexander

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:

Watson, James K. G.

Publication type:

Article

Electronic structure of SrO molecules with dipole moments and ro-vibrational calculations.

Published in:

Canadian Journal of Physics, 2017, v. 95, n. 6, p. 610, doi. 10.1139/cjp-2016-0879

By:

Khatib, Mohamed;
Korek, Mahmoud

Publication type:

Article