受强制性开放获取政策约束的文章 - Debajit Chakraborty了解详情
无法在其他位置公开访问的文章：2 篇
Two-point weighted density approximations for the kinetic energy density functional
D Chakraborty, R Cuevas-Saavedra, PW Ayers
Theoretical Chemistry Accounts 136, 1-12, 2017
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
A Polynomial-Scaling Algorithm for Computing the Probability of 2bserving Speci¿ ed Numbers of Electrons in Multiple Domains Using Correlation Functions
PW Ayers, G Acke, S Fias, D Chakraborty, P Bultinck
Theoretical and Quantum Chemistry at the Dawn of the 21st Century, 133-160, 2018
强制性开放获取政策： Research Foundation (Flanders), Natural Sciences and Engineering Research …
可在其他位置公开访问的文章：14 篇
Next-generation nonlocal van der Waals density functional
D Chakraborty, K Berland, T Thonhauser
Journal of Chemical Theory and Computation 16 (9), 5893-5911, 2020
强制性开放获取政策： US National Science Foundation, Research Council of Norway
Entropy contributions to phase stability in binary random solid solutions
A Manzoor, S Pandey, D Chakraborty, SR Phillpot, DS Aidhy
npj Computational Materials 4 (1), 47, 2018
强制性开放获取政策： US Department of Energy
Cr-induced fast vacancy cluster formation and high Ni diffusion in concentrated Ni-Fe-Cr alloys
D Chakraborty, DS Aidhy
Journal of Alloys and Compounds 725, 449-460, 2017
强制性开放获取政策： US Department of Energy
Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations
VV Karasiev, D Chakraborty, SB Trickey
Computer Physics Communications 192, 114-123, 2015
强制性开放获取政策： US Department of Energy
van der Waals density functional with corrected coefficients
K Berland, D Chakraborty, T Thonhauser
Physical Review B 99 (19), 195418, 2019
强制性开放获取政策： US National Science Foundation, Research Council of Norway
Comment on “Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation”
SB Trickey, VV Karasiev, D Chakraborty
Physical Review B 92 (11), 117101, 2015
强制性开放获取政策： US Department of Energy
Classical interatomic potential for quaternary Ni–Fe–Cr–Pd solid solution alloys
G Bonny, D Chakraborty, S Pandey, A Manzoor, N Castin, SR Phillpot, ...
Modelling and Simulation in Materials Science and Engineering 26 (6), 065014, 2018
强制性开放获取政策： US Department of Energy
An information‐theoretic approach to basis‐set fitting of electron densities and other non‐negative functions
A Tehrani, JSM Anderson, D Chakraborty, JI Rodriguez‐Hernandez, ...
Journal of Computational Chemistry 44 (25), 1998-2015, 2023
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
Effect of atomic order/disorder on vacancy clustering in concentrated NiFe alloys
D Chakraborty, A Harms, MW Ullah, WJ Weber, DS Aidhy
Computational Materials Science 147, 194-203, 2018
强制性开放获取政策： US Department of Energy
System-size dependence in grand canonical and canonical ensembles
D Chakraborty, J Dufty, VV Karasiev
Advances in Quantum Chemistry 71, 11-27, 2015
强制性开放获取政策： US Department of Energy
Reduced-gradient analysis of molecular adsorption on graphene with nonlocal density functionals
T Jenkins, D Chakraborty, K Berland, T Thonhauser
Physical Review B 109 (3), 035427, 2024
强制性开放获取政策： US National Science Foundation, Research Council of Norway
Kinetic energy density functionals from models for the one-electron reduced density matrix
D Chakraborty, R Cuevas-Saavedra, PW Ayers
Many-body Approaches at Different Scales: A Tribute to Norman H. March on …, 2018
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
A Diagonally Updated Limited-Memory Quasi-Newton Method for the Weighted Density Approximation
M Chan, R Cuevas-Saavedra, D Chakraborty, PW Ayers
Computation 5 (4), 42, 2017
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
A Gradient Corrected Two-Point Weighted Density Approximation for Exchange Energies
R Cuevas-Saavedra, D Chakraborty, M Chan, PW Ayers
Many-body Approaches at Different Scales: A Tribute to Norman H. March on …, 2018
强制性开放获取政策： Natural Sciences and Engineering Research Council of Canada
出版信息和资助信息由计算机程序自动确定