关注
yael cytter
yael cytter
在 mit.edu 的电子邮件经过验证
标题
引用次数
引用次数
年份
Stochastic density functional theory at finite temperatures
Y Cytter, E Rabani, D Neuhauser, R Baer
Physical Review B 97 (11), 115207, 2018
662018
Stochastic optimally tuned range-separated hybrid density functional theory
D Neuhauser, E Rabani, Y Cytter, R Baer
The Journal of Physical Chemistry A 120 (19), 3071-3078, 2016
472016
Large-scale comparison of 3d and 4d transition metal complexes illuminates the reduced effect of exchange on second-row spin-state energetics
A Nandy, DBK Chu, DR Harper, C Duan, N Arunachalam, Y Cytter, ...
Physical Chemistry Chemical Physics 22 (34), 19326-19341, 2020
302020
Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory within the Kubo-Greenwood formalism
Y Cytter, E Rabani, D Neuhauser, M Preising, R Redmer, R Baer
Physical Review B 100 (19), 195101, 2019
182019
Metropolis evaluation of the hartree–fock exchange energy
Y Cytter, D Neuhauser, R Baer
Journal of chemical theory and computation 10 (10), 4317-4323, 2014
152014
Ligand additivity and divergent trends in two types of delocalization errors from approximate density functional theory
Y Cytter, A Nandy, A Bajaj, HJ Kulik
The Journal of Physical Chemistry Letters 13 (20), 4549-4555, 2022
32022
Insights into the deviation from piecewise linearity in transition metal complexes from supervised machine learning models
Y Cytter, A Nandy, C Duan, HJ Kulik
Physical Chemistry Chemical Physics 25 (11), 8103-8116, 2023
22023
Transition to metallization in warm dense helium-hydrogen mixtures using stochastic density functional theory
Y Cytter, E Rabani, D Neuhauser, M Preising, R Redmer, R Baer
Bulletin of the American Physical Society 65, 2020
2020
A Stochastic approach to thermal DFT
Y Cytter, D Neuhauser, E Rabani, R Baer
APS March Meeting Abstracts 2019, G70. 343, 2019
2019
Stochastic adventures in density functional theory and beyond
R Baer, E Arnon, Y Cytter, M Fabian, B Schpiro, V Vlcek, E Rabani, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
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