Quantum Chemistry

179 papers for year 2016

Quantum Chemistry Research Context

This Quantum Articles category organizes published quantum research papers so readers can browse focused work by topic, source, and year.

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All sources 179 arXiv preprints 140 Crossref 24 Europe PMC 7 DOAJ 8

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Showing 145-156 of 179

Study of the Effect of Halogens on the Asymmetric Parameters, Coating Constants and Chemical Disposition of Carbon Atoms in the C17H2ON2S Compound with Quantum Chemistry Calculations

Mehmet Larit

2016 DOAJ International Journal of New Chemistry

Surface hopping methodology in laser-driven molecular dynamics

T. Fiedlschuster, J. Handt, E. K. U. Gross, R. Schmidt

2016 arXiv arXiv preprint

The hydrogen atom according to wave mechanics, parts I, II, III, IV, V

J. F. Ogilvie

2016 arXiv arXiv preprint

The Importance of the Pre-exponential Factor in Semiclassical Molecular Dynamics

Giovanni Di Liberto, Michele Ceotto

2016 arXiv arXiv preprint

The quantum Rabi model: solution and dynamics

Qiongtao Xie, Honghua Zhong, Murray T. Batchelor, Chaohong Lee

2016 arXiv arXiv preprint

The theoretical analysis of omnidirectional photonic band gaps in the one-dimensional ternary plasma photonic crystals based on Pell quasi-periodic structure

Feng Xue, Shao-Bin Liu, Hai-Feng Zhang, Xiang-Kun Kong, Yong-Diao Wen, Ling-Ling Wang, Shen Qian

2016 Crossref Optical and Quantum Electronics

Theoretical description of mixed-field orientation of asymmetric top molecules: a time-dependent study

Juan J. Omiste, Rosario González-Férez

2016 arXiv arXiv preprint

Three addressable spin qubits in a molecular single-ion magnet

Mark David Jenkins, Yan Duan, Beatriz Diosdado, Juan José García-Ripoll, Alejandro Gaita-Ariño, Carlos Giménez-Saíz, Pablo J. Alonso, Eugenio Coronado, Fernando Luis

2016 arXiv arXiv preprint

Time scale for adiabaticity breakdown in driven many-body systems and orthogonality catastrophe

Oleg Lychkovskiy, Oleksandr Gamayun, Vadim Cheianov

2016 arXiv arXiv preprint

Time-dependent configuration-interaction-singles calculation of the $5p$-subshell two-photon ionization cross section in xenon

Antonia Karamatskou, Robin Santra

2016 arXiv arXiv preprint

Time-dependent local-to-normal mode transition in triatomic molecules

Hans Cruz, Marisol Bermúdez-Montaña, Renato Lemus

2016 arXiv arXiv preprint

Time-dependent potential through an Ansatz for the Kohn-Sham orbitals

R. J. Magyar

2016 arXiv arXiv preprint

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