Electron scattering in time-dependent density functional theory

Lacombe, Lionel; Suzuki, Yasumitsu; Watanabe, Kazuyuki; Maitra, Neepa T.

doi:10.1140/epjb/e2018-90101-2

Title: Electron scattering in time-dependent density functional theory

Journal Article · Fri Jun 01 00:00:00 EDT 2018 · European Physical Journal. B, Condensed Matter and Complex Systems

DOI:https://doi.org/10.1140/epjb/e2018-90101-2· OSTI ID:1541759

Lacombe, Lionel; Suzuki, Yasumitsu; Watanabe, Kazuyuki; Maitra, Neepa T.

Not provided.

Cite

Export

Save

Research Organization:: City Univ. of New York (CUNY), NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC)

DOE Contract Number:: SC0015344

OSTI ID:: 1541759

Journal Information:: European Physical Journal. B, Condensed Matter and Complex Systems, Vol. 91, Issue 6; ISSN 1434-6028

Publisher:: Springer

Country of Publication:: United States

Language:: English

References (29)

Time-Dependent Density-Functional Theory Ullrich, Carsten A. https://doi.org/10.1093/acprof:oso/9780199563029.001.0001	book	December 2011
Perspective: Fundamental aspects of time-dependent density functional theory Maitra, Neepa T. The Journal of Chemical Physics, Vol. 144, Issue 22 https://doi.org/10.1063/1.4953039	journal	June 2016
Resonant Formation of DNA Strand Breaks by Low-Energy (3 to 20 eV) Electrons Boudaïffa, B. Science, Vol. 287, Issue 5458 https://doi.org/10.1126/science.287.5458.1658	journal	March 2000
Imaging and dynamics of light atoms and molecules on graphene Meyer, Jannik C.; Girit, C. O.; Crommie, M. F. Nature, Vol. 454, Issue 7202 https://doi.org/10.1038/nature07094	journal	July 2008
Theoretical study on collision dynamics of H ⁺ + CH ₄ at low energies Gao, Cong-Zhang; Wang, Jing; Wang, Feng The Journal of Chemical Physics, Vol. 140, Issue 5 https://doi.org/10.1063/1.4863635	journal	February 2014
Self-interaction effects on charge-transfer collisions Quashie, Edwin E.; Saha, Bidhan C.; Andrade, Xavier Physical Review A, Vol. 95, Issue 4 https://doi.org/10.1103/PhysRevA.95.042517	journal	April 2017
Density-functional-theory investigation of antiproton-helium collisions Henkel, Nils; Keim, Matthias; Lüdde, Hans Jürgen Physical Review A, Vol. 80, Issue 3 https://doi.org/10.1103/PhysRevA.80.032704	journal	September 2009
Quantum dynamics of secondary electron emission from nanographene Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki Physical Review B, Vol. 94, Issue 3 https://doi.org/10.1103/PhysRevB.94.035403	journal	July 2016
Electron transmission through bilayer graphene: A time-dependent first-principles study Miyauchi, Hironari; Ueda, Yoshihiro; Suzuki, Yasumitsu Physical Review B, Vol. 95, Issue 12 https://doi.org/10.1103/PhysRevB.95.125425	journal	March 2017
Virtual substrate method for nanomaterials characterization Da, Bo; Liu, Jiangwei; Yamamoto, Mahito Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15629	journal	May 2017
Time-dependent first-principles study of angle-resolved secondary electron emission from atomic sheets Ueda, Yoshihiro; Suzuki, Yasumitsu; Watanabe, Kazuyuki Physical Review B, Vol. 97, Issue 7 https://doi.org/10.1103/PhysRevB.97.075406	journal	February 2018
Time-Dependent Density Functional Calculation of $e − H$ Scattering van Faassen, Meta; Wasserman, Adam; Engel, Eberhard Physical Review Letters, Vol. 99, Issue 4 https://doi.org/10.1103/PhysRevLett.99.043005	journal	July 2007
Time-dependent density functional theory of high excitations: to infinity, and beyond van Faassen, Meta; Burke, Kieron Physical Chemistry Chemical Physics, Vol. 11, Issue 22 https://doi.org/10.1039/b901402k	journal	January 2009
Continuum states from time-dependent density functional theory Wasserman, Adam; Maitra, Neepa T.; Burke, Kieron The Journal of Chemical Physics, Vol. 122, Issue 14 https://doi.org/10.1063/1.1877052	journal	April 2005
Exact Time-Dependent Exchange-Correlation Potential in Electron Scattering Processes Suzuki, Yasumitsu; Lacombe, Lionel; Watanabe, Kazuyuki Physical Review Letters, Vol. 119, Issue 26 https://doi.org/10.1103/PhysRevLett.119.263401	journal	December 2017
Many-body quantum dynamics from the density Nielsen, S. E. B.; Ruggenthaler, M.; van Leeuwen, R. EPL (Europhysics Letters), Vol. 101, Issue 3 https://doi.org/10.1209/0295-5075/101/33001	journal	February 2013
Existence, uniqueness, and construction of the density-potential mapping in time-dependent density-functional theory Ruggenthaler, Michael; Penz, Markus; van Leeuwen, Robert Journal of Physics: Condensed Matter, Vol. 27, Issue 20 https://doi.org/10.1088/0953-8984/27/20/203202	journal	April 2015
Universal Dynamical Steps in the Exact Time-Dependent Exchange-Correlation Potential Elliott, P.; Fuks, J. I.; Rubio, A. Physical Review Letters, Vol. 109, Issue 26 https://doi.org/10.1103/PhysRevLett.109.266404	journal	December 2012
Ground state properties of the one-dimensional Coulomb gas using the lattice regularized diffusion Monte Carlo method Casula, Michele; Sorella, Sandro; Senatore, Gaetano Physical Review B, Vol. 74, Issue 24 https://doi.org/10.1103/PhysRevB.74.245427	journal	December 2006
Density functional theory beyond the linear regime: Validating an adiabatic local density approximation Helbig, N.; Fuks, J. I.; Casula, M. Physical Review A, Vol. 83, Issue 3 https://doi.org/10.1103/PhysRevA.83.032503	journal	March 2011
Analysis of correlation in terms of exact local potentials: Applications to two-electron systems Buijse, Marten A.; Baerends, Evert Jan; Snijders, Jaap G. Physical Review A, Vol. 40, Issue 8 https://doi.org/10.1103/PhysRevA.40.4190	journal	October 1989
Molecular exchange‐correlation Kohn–Sham potential and energy density from ab initio first‐ and second‐order density matrices: Examples for XH (X=Li, B, F) Gritsenko, Oleg V.; Leeuwen, Robert van; Baerends, Evert Jan The Journal of Chemical Physics, Vol. 104, Issue 21 https://doi.org/10.1063/1.471602	journal	June 1996
Kinetic and interaction components of the exact time-dependent correlation potential Luo, Kai; Fuks, Johanna I.; Sandoval, Ernesto D. The Journal of Chemical Physics, Vol. 140, Issue 18 https://doi.org/10.1063/1.4867002	journal	May 2014
Time-dependent density functional theory beyond Kohn–Sham Slater determinants Fuks, Johanna I.; Nielsen, Søren E. B.; Ruggenthaler, Michael Physical Chemistry Chemical Physics, Vol. 18, Issue 31 https://doi.org/10.1039/C6CP00722H	journal	January 2016
Quantum Scattering Theory in One Dimension Eberly, Joseph H. American Journal of Physics, Vol. 33, Issue 10 https://doi.org/10.1119/1.1970982	journal	October 1965
Time-Dependent Density Functional Response Theory for Molecules Casida, Mark E. Recent Advances in Density Functional Methods https://doi.org/10.1142/9789812830586_0005	book	November 1995
Molecular excitation energies from time-dependent density functional theory Grabo, T.; Petersilka, M.; Gross, E. K. U. Journal of Molecular Structure: THEOCHEM, Vol. 501-502 https://doi.org/10.1016/S0166-1280(99)00445-5	journal	April 2000
octopus: a tool for the application of time-dependent density functional theory Castro, Alberto; Appel, Heiko; Oliveira, Micael physica status solidi (b), Vol. 243, Issue 11 https://doi.org/10.1002/pssb.200642067	journal	September 2006
Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Andrade, Xavier; Botti, Silvana; Marques, Miguel A. L. The Journal of Chemical Physics, Vol. 126, Issue 18 https://doi.org/10.1063/1.2733666	journal	May 2007

Similar Records

Charge transfer in time-dependent density functional theory

Journal Article · Fri Sep 08 00:00:00 EDT 2017 · Journal of Physics. Condensed Matter · OSTI ID:1541759

Maitra, Neepa T.

Electron-Ion Dynamics with Time-Dependent Density Functional Theory: Towards Predictive Solar Cell Modeling

Technical Report · Mon Jul 25 00:00:00 EDT 2016 · OSTI ID:1541759

Maitra, Neepa T.

Studies of spuriously shifting resonances in time-dependent density functional theory

Journal Article · Mon Jul 25 00:00:00 EDT 2016 · Journal of Chemical Physics · OSTI ID:1541759

Luo, Kai; Fuks, Johanna I.; Maitra, Neepa T.

Related Subjects

Physics

Title: Electron scattering in time-dependent density functional theory

Citation Formats

References (29)

Similar Records

Related Subjects