Matches in DBpedia 2015-10 for { <http://dbpedia.org/resource/Newton-X> ?p ?o }
- Newton-X abstract "Newton-X is a general program for molecular dynamics simulations beyond the Born-Oppenheimer approximation. It has been primarily used for simulations of ultrafast processes (femtosecond to picosecond time scale) in photoexcited molecules. It has also been used for simulation of band envelops of absorption and emission spectra.Newton-X uses the trajectory surface hopping method, a semi-classical approximation in which the nuclei are treated classically by Newtonian dynamics, while the electrons are treated as a quantum subsystem via a local approximation of the Time-dependent Schrödinger Equation. Nonadiabatic effects (the spread of the nuclear wave packet between several states) are recovered by a stochastic algorithm, which allows individual trajectories to change between different potential energy states during the dynamics.".
- Newton-X latestReleaseVersion "1.4".
- Newton-X programmingLanguage C_(programming_language).
- Newton-X programmingLanguage Perl.
- Newton-X thumbnail Newton-X.jpg?width=300.
- Newton-X wikiPageExternalLink www.newtonx.org.
- Newton-X wikiPageExternalLink www.newtonx.org.
- Newton-X wikiPageExternalLink newtonx.
- Newton-X wikiPageExternalLink mbarbatti.
- Newton-X wikiPageID "44414514".
- Newton-X wikiPageLength "17984".
- Newton-X wikiPageOutDegree "76".
- Newton-X wikiPageRevisionID "674649211".
- Newton-X wikiPageWikiLink Ab_initio_quantum_chemistry_methods.
- Newton-X wikiPageWikiLink Absorption_cross_section.
- Newton-X wikiPageWikiLink Absorption_spectroscopy.
- Newton-X wikiPageWikiLink Born-Oppenheimer_approximation.
- Newton-X wikiPageWikiLink Born–Oppenheimer_approximation.
- Newton-X wikiPageWikiLink COLUMBUS.
- Newton-X wikiPageWikiLink C_(programming_language).
- Newton-X wikiPageWikiLink Category:Computational_chemistry_software.
- Newton-X wikiPageWikiLink Computational_chemistry.
- Newton-X wikiPageWikiLink Configuration_interaction.
- Newton-X wikiPageWikiLink Coupled_cluster.
- Newton-X wikiPageWikiLink Dynamic_allocation.
- Newton-X wikiPageWikiLink Electron_mass.
- Newton-X wikiPageWikiLink Electron_rest_mass.
- Newton-X wikiPageWikiLink Elementary_charge.
- Newton-X wikiPageWikiLink Emission_spectrum_(fluorescence_spectroscopy).
- Newton-X wikiPageWikiLink Femtosecond.
- Newton-X wikiPageWikiLink File:Files_and_directories_structure_in_Newton-X.jpg.
- Newton-X wikiPageWikiLink Fluorescence_spectroscopy.
- Newton-X wikiPageWikiLink Fortran.
- Newton-X wikiPageWikiLink Fortran_90.
- Newton-X wikiPageWikiLink GAMESS_(US).
- Newton-X wikiPageWikiLink GAUSSIAN.
- Newton-X wikiPageWikiLink Gaussian_(software).
- Newton-X wikiPageWikiLink Google_Scholar.
- Newton-X wikiPageWikiLink Inner_product.
- Newton-X wikiPageWikiLink Inner_product_space.
- Newton-X wikiPageWikiLink output.
- Newton-X wikiPageWikiLink John_C._Tully.
- Newton-X wikiPageWikiLink Linear_response.
- Newton-X wikiPageWikiLink Linear_response_function.
- Newton-X wikiPageWikiLink List_of_quantum_chemistry_and_solid-state_physics_software.
- Newton-X wikiPageWikiLink MCSCF.
- Newton-X wikiPageWikiLink MRCI.
- Newton-X wikiPageWikiLink Memory_management.
- Newton-X wikiPageWikiLink Molecular_dynamics.
- Newton-X wikiPageWikiLink Multi-configurational_self-consistent_field.
- Newton-X wikiPageWikiLink Multireference_configuration_interaction.
- Newton-X wikiPageWikiLink Newtonian_dynamics.
- Newton-X wikiPageWikiLink Parallel_computing.
- Newton-X wikiPageWikiLink Parallelization.
- Newton-X wikiPageWikiLink Perl.
- Newton-X wikiPageWikiLink Picosecond.
- Newton-X wikiPageWikiLink Planck_constant.
- Newton-X wikiPageWikiLink Potential_energy_surface.
- Newton-X wikiPageWikiLink MM.
- Newton-X wikiPageWikiLink Quantum_chemistry.
- Newton-X wikiPageWikiLink Quantum_chemistry_computer_programs.
- Newton-X wikiPageWikiLink Reduced_Planck_constant.
- Newton-X wikiPageWikiLink Refractive_index.
- Newton-X wikiPageWikiLink Schrödinger_equation.
- Newton-X wikiPageWikiLink Semi-empirical_quantum_chemistry_method.
- Newton-X wikiPageWikiLink Semiempirical_quantum_chemistry_method.
- Newton-X wikiPageWikiLink Sharon_Hammes-Schiffer.
- Newton-X wikiPageWikiLink Speed_of_light.
- Newton-X wikiPageWikiLink Surface_hopping.
- Newton-X wikiPageWikiLink TDDFT.
- Newton-X wikiPageWikiLink TURBOMOLE.
- Newton-X wikiPageWikiLink Time-dependent_Schrödinger_equation.
- Newton-X wikiPageWikiLink Time-dependent_density_functional_theory.
- Newton-X wikiPageWikiLink Ultrafast_molecular_process.
- Newton-X wikiPageWikiLink Vacuum_permittivity.
- Newton-X wikiPageWikiLink Vibronic_coupling.
- Newton-X wikiPageWikiLink Wave_function.
- Newton-X wikiPageWikiLink Wave_packet.
- Newton-X wikiPageWikiLink Wavefunction.
- Newton-X wikiPageWikiLink Wavefunctions.
- Newton-X wikiPageWikiLink Wigner_quasiprobability_distribution.
- Newton-X wikiPageWikiLink File:Newton-X.jpg.
- Newton-X wikiPageWikiLink File:Newton-X_Menu.jpg.
- Newton-X wikiPageWikiLink File:Newton-x_Structure.jpg.
- Newton-X wikiPageWikiLinkText "Newton-X".
- Newton-X developer "M. Barbatti, G. Granucci, M. Ruckenbauer, F. Plasser, R. Crespo-Otero, J. Pittner, M. Persico, H. Lischka".
- Newton-X hasPhotoCollection Newton-X.
- Newton-X latestReleaseVersion "1.4".
- Newton-X logo File:Newton-X.jpg.
- Newton-X operatingSystem "Linux".
- Newton-X programmingLanguage "Perl, Fortran, C".
- Newton-X screenshot File:Newton-X_Menu.jpg.
- Newton-X title "Newton-X: A Package for Newtonian Dynamics Close to the Crossing Seam".
- Newton-X wikiPageUsesTemplate Template:Infobox_software.
- Newton-X wikiPageUsesTemplate Template:Reflist.
- Newton-X subject Category:Computational_chemistry_software.
- Newton-X hypernym Program.
- Newton-X type Software.
- Newton-X type Work.
- Newton-X type CreativeWork.