Geometric Time-Dependent Density Functional Theory.Phys Rev Lett 2026 Jun 26; 136(25):256401.PR
Abstract
We provide a new formulation of time-dependent density functional theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation involving a new density-to-current functional map. In the corresponding Kohn-Sham equation, the density is reproduced using a nonlocal operator. Finally, we present numerical simulations for one-dimensional soft-Coulomb systems.
Pub Type(s)
Journal Article
Language
eng
PubMed ID
42430637
Citation
Cancès, Éric, et al. "Geometric Time-Dependent Density Functional Theory." Physical Review Letters, vol. 136, no. 25, 2026, p. 256401.
Cancès É, Duez T, van Gog J, et al. Geometric Time-Dependent Density Functional Theory. Phys Rev Lett. 2026;136(25):256401.
Cancès, É., Duez, T., van Gog, J., Lauritsen, A. B., Lewin, M., & Toulouse, J. (2026). Geometric Time-Dependent Density Functional Theory. Physical Review Letters, 136(25), 256401. https://doi.org/10.1103/xtjx-r2lm
Cancès É, et al. Geometric Time-Dependent Density Functional Theory. Phys Rev Lett. 2026 Jun 26;136(25):256401. PubMed PMID: 42430637.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR
T1 - Geometric Time-Dependent Density Functional Theory.
AU - Cancès,Éric,
AU - Duez,Théo,
AU - van Gog,Jari,
AU - Lauritsen,Asbjørn Bækgaard,
AU - Lewin,Mathieu,
AU - Toulouse,Julien,
PY - 2026/01/12/received
PY - 2026/05/06/accepted
PY - 2026/7/10/medline
PY - 2026/7/10/pubmed
PY - 2026/7/10/entrez
SP - 256401
EP - 256401
JF - Physical review letters
JO - Phys Rev Lett
VL - 136
IS - 25
N2 - We provide a new formulation of time-dependent density functional theory (TDDFT) based on the geometric structure of the set of states constrained to have a fixed density. Orbital-free TDDFT is formulated using a hydrodynamics equation involving a new density-to-current functional map. In the corresponding Kohn-Sham equation, the density is reproduced using a nonlocal operator. Finally, we present numerical simulations for one-dimensional soft-Coulomb systems.
SN - 1079-7114
UR - https://www.unboundmedicine.com/prime/citation/42430637/Geometric_Time-Dependent_Density_Functional_Theory.
DB - PRIME
DP - Unbound Medicine
ER -
