A Density Functional Theory for the Average Electron Energy
Journal article, 2023
Author
Stefano Racioppi
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Phalgun Lolur
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Per Hyldgaard
Chalmers, Microtechnology and Nanoscience (MC2), Electronics Material and Systems
Martin Rahm
Chalmers, Chemistry and Chemical Engineering, Chemistry and Biochemistry
Journal of Chemical Theory and Computation
1549-9618 (ISSN) 1549-9626 (eISSN)
Vol. 19 3 799-807A framework for the physics-based estimation of tool wear in machining process (WEAR-FRAME)
VINNOVA (2020-05179), 2021-03-22 -- 2024-11-20.
Laddningsöverförsel vid gränsytor i mjuka material: en utmaning för icke-lokal täthetsfunktionalteori
Swedish Research Council (VR) (2018-03964), 2019-01-01 -- 2022-12-31.
Subject Categories
Other Physics Topics
Theoretical Chemistry
Condensed Matter Physics
DOI
10.1021/acs.jctc.2c00899
PubMed
36693279