Zobrazeno 1 - 10
of 24
pro vyhledávání: '"Johanna I. Fuks"'
Autor:
Luning Zhao, Joshua Goings, Kyujin Shin, Woomin Kyoung, Johanna I. Fuks, June-Koo Kevin Rhee, Young Min Rhee, Kenneth Wright, Jason Nguyen, Jungsang Kim, Sonika Johri
Publikováno v:
npj Quantum Information, Vol 9, Iss 1, Pp 1-9 (2023)
Abstract Variational quantum eigensolvers (VQE) are among the most promising approaches for solving electronic structure problems on near-term quantum computers. A critical challenge for VQE in practice is that one needs to strike a balance between t
Externí odkaz:
https://doaj.org/article/05584fbbae6241d88e2350fe69b6ac99
Autor:
Johanna I. Fuks, S. D. López, Markus Kubin, Diego G. Arbó, Oleg Kornilov, Felipe Morales, Johan Hummert, Marc J. J. Vrakking
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 53:154003
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4ba5aa34107e284027c3bfb98081054
https://doi.org/10.1088/1361-6455/ab94c9
https://doi.org/10.1088/1361-6455/ab94c9
Publikováno v:
Physical Chemistry Chemical Physics
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET
A decomposition of the exact exchange-correlation potential of time-dependent density functional theory into an interaction component and a kinetic component offers a new starting point for non- adiabatic approximations. The components are expressed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::310e9e00c35887083e4b83c8bfaf0373
https://hdl.handle.net/21.11116/0000-0002-7479-421.11116/0000-0006-D02A-021.11116/0000-0002-747B-221.11116/0000-0002-747C-1
https://hdl.handle.net/21.11116/0000-0002-7479-421.11116/0000-0006-D02A-021.11116/0000-0002-747B-221.11116/0000-0002-747C-1
Autor:
Johanna I. Fuks, Neepa T. Maitra
Publikováno v:
Phys. Chem. Chem. Phys.. 16:14504-14513
We explore an asymmetric two-fermion Hubbard dimer to test the accuracy of the adiabatic approximation of time-dependent density functional theory in modelling time-resolved charge transfer. We show that the model shares essential features of a groun
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::451dbff4b1e6336051f848d51f3ea05d
https://doi.org/10.1039/c4cp00118d
https://doi.org/10.1039/c4cp00118d
Autor:
Johanna I. Fuks
Publikováno v:
The European Physical Journal B. 89
The present study is an effort to unveil and characterize the failure and success of real-time Time-dependent density functional theory simulated charge transfer dynamics. To this aim, we study two distinct examples found in the literature: a dramati
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2719fc215aa84c1b5a65e99eaf0bc372
https://doi.org/10.1140/epjb/e2016-70110-y
https://doi.org/10.1140/epjb/e2016-70110-y
Publikováno v:
Physical Chemistry Chemical Physics
When running time-dependent density functional theory (TDDFT) calculations for real-time simulations of non-equilibrium dynamics, the user has a choice of initial Kohn-Sham state, and typically a Slater determinant is used. We explore the impact of t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3a8e3c675075d200e4e24344447c8d5c
https://hdl.handle.net/11858/00-001M-0000-002B-2083-811858/00-001M-0000-002B-2085-4
https://hdl.handle.net/11858/00-001M-0000-002B-2083-811858/00-001M-0000-002B-2085-4
Adiabatic approximations in time-dependent density functional theory (TDDFT) will in general yield unphysical time-dependent shifts in the resonance positions of a system driven far from its ground-state. This spurious time-dependence is rationalized
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8eed86623cfaaf2a88f34bf897a627b1
A fundamental property of a quantum system driven by an external field is that when the field is turned off the positions of its response frequencies are independent of the time at which the field is turned off. We show that this leads to an exact co
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0703fe39fcaf54ff6fd6796965833338
https://europepmc.org/articles/PMC6135656/
https://europepmc.org/articles/PMC6135656/
Autor:
Johanna I. Fuks, Neepa T. Maitra
We show that an asymmetric two-fermion two-site Hubbard model illustrates the essential features of long-range charge-transfer dynamics in a real-space molecule. We apply a resonant field that transfers one fermion from one site to the other. Via con
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f22b6efff9efa389eac8cc29171760ac
http://arxiv.org/abs/1312.6880
http://arxiv.org/abs/1312.6880
Time-dependent exchange-correlation functional for a Hubbard dimer: Quantifying nonadiabatic effects
Publikováno v:
Digital.CSIC. Repositorio Institucional del CSIC
instname
Physical Review A
instname
Physical Review A
We address and quantify the role of nonadiabaticity (“memory effects”) in the exchange-correlation (xc) functional of time-dependent density functional theory (TDDFT) for describing nonlinear dynamics of many-body systems. Time-dependent resonant
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d0eb1ba18f1db4382cc0788e8f9cf4e
https://doi.org/10.1103/physreva.88.062512
https://doi.org/10.1103/physreva.88.062512