Open AccessFrom simple molecules to nanotubes. Reliable predictions of ionization potentials from the ΔMP2-SCS methods
Author(s) -
Szymon Śmiga,
Sylwia Siecińska,
Ireneusz Grabowski
Publication year - 2020
Publication title -
new journal of physics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.584
H-Index - 190
ISSN - 1367-2630
DOI - 10.1088/1367-2630/abaa00
Subject(s) - physics , ionization , ionization energy , simple (philosophy) , function (biology) , valence (chemistry) , molecule , density functional theory , atomic physics , statistical physics , quantum mechanics , ion , philosophy , epistemology , evolutionary biology , biology