المؤلفون: Moncho-Jordá, Arturo^1,2 (AUTHOR) moncho@ugr.es, Groh, Sebastien³ (AUTHOR), Dzubiella, Joachim^3,4 (AUTHOR)

المصدر: Journal of Chemical Physics. 1/14/2024, Vol. 160 Issue 2, p1-12. 12p.

مصطلحات موضوعية: *MACROMOLECULES, *LOCALIZATION (Mathematics), *LIQUIDS, *DENSITY functional theory, *MEAN field theory, *DEGREES of freedom

المؤلفون: Shiraishi, Kumpei, Mizuno, Hideyuki, Ikeda, Atsushi

المصدر: Journal of Chemical Physics; May2023, Vol. 158 Issue 17, p1-7, 7p

مصطلحات موضوعية: DENSITY of states, FLUX pinning, LATTICE dynamics, LOCALIZATION (Mathematics), PHONONS

المؤلفون: Huan Lew-Yee, Juan Felipe, Piris, Mario, del Campo, Jorge M.

المصدر: Journal of Chemical Physics; 2/28/2023, Vol. 158 Issue 8, p1-7, 7p

مصطلحات موضوعية: NATURAL orbitals, IONIZATION energy, JOB performance, POTENTIAL energy, LOCALIZATION (Mathematics), CURVES

المؤلفون: Lew-Yee, Juan Felipe Huan, M. del Campo, Jorge

المصدر: Journal of Chemical Physics; 9/14/2022, Vol. 157 Issue 10, p1-9, 9p

مصطلحات موضوعية: NATURAL orbitals, FUNCTIONALS, LOCALIZATION (Mathematics), HELIUM atom, CHARGE transfer

المؤلفون: Hongyang Li¹, Wenjian Liu¹ liuwj@pku.edu.cn, Bingbing Suo²

المصدر: Journal of Chemical Physics. 2017, Vol. 146 Issue 10, p1-12. 12p. 1 Diagram, 5 Charts, 1 Graph.

مصطلحات موضوعية: *MOLECULAR orbitals, *LOCALIZATION (Mathematics), *ELECTRONIC excitation, *MOLECULES, *ELECTRONS, *MATHEMATICAL models

المؤلفون: Nazarov, V. U.¹, Vignale, G.²

المصدر: Journal of Chemical Physics. 2015, Vol. 143 Issue 6, p1-9. 9p. 6 Graphs.

مصطلحات موضوعية: *HARTREE-Fock approximation, *LOCALIZATION (Mathematics), *MATHEMATICAL proofs, *DERIVATIVES (Mathematics), *FRACTIONAL calculus

المؤلفون: Zimmerman, Paul M.¹ paulzim@umich.edu, Molina, Andrew R.¹, Smereka, Peter²

المصدر: Journal of Chemical Physics. 2015, Vol. 143 Issue 1, p1-8. 8p. 1 Diagram, 7 Graphs.

مصطلحات موضوعية: *MOLECULAR orbitals, *LOCALIZATION (Mathematics), *ELECTRONIC structure, *UNITARY transformations, *CANONICAL transformations

المؤلفون: Smith, E. R.¹, Heyes, D. M.¹, Dini, D.¹ d.dini@imperial.ac.uk, Zaki, T. A.¹ t.zaki@imperial.ac.uk

المصدر: Journal of Chemical Physics. 2015, Vol. 142 Issue 7, p1-16. 16p. 5 Graphs.

مصطلحات موضوعية: *LOCALIZATION (Mathematics), *NON-equilibrium reactions, *MOLECULAR dynamics, *GAUSSIAN processes, *ITERATIVE methods (Mathematics)

المؤلفون: Bondarenko, Anna S., Jansen, Thomas L. C., Knoester, Jasper

المصدر: Journal of Chemical Physics; 5/21/2020, Vol. 152 Issue 19, p1-12, 12p, 1 Color Photograph, 2 Charts, 8 Graphs

مصطلحات موضوعية: EXCITON theory, MOLECULAR size, LOCALIZATION (Mathematics), WAVE functions, DIPOLE-dipole interactions, OPTICAL spectra, ABSORPTION spectra

المؤلفون: Patra, Tarak K.¹, Singh, Jayant K.¹ jayantks@iitk.ac.in

المصدر: Journal of Chemical Physics. 5/28/2014, Vol. 140 Issue 20, p204909-1-204909-6. 6p. 1 Diagram, 6 Graphs.

مصطلحات موضوعية: *POLYMER structure, *LOCALIZATION (Mathematics), *STRETCHING of materials, *MOLECULAR dynamics, *POLYMERS