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physics.comp-ph2023★ 1 cited
FEcMD: A multi-physics and multi-scale computational program for electron emission characteristics dynamically coupled with atomic structure in metal nano-emitters
Nan Li, Xinyu Gao, Xianghui Feng +3
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying the electron emission characteristics and the atomic structu…
physics.comp-ph2023★ 1 cited
Assessing r2SCAN meta-GGA functional for structural parameters, cohesive energy, mechanical modulus and thermophysical properties of 3d, 4d and 5d transition metals
Haoliang Liu, Xue Bai, Jingliang Ning +7
The recent development of the accurate and efficient semilocal density functionals on the third rung of Jacob's ladder of density functional theory such as the revised regularized…