Open AccessQuantifying Intra- and Intermolecular Phenomena: Challenging yet Exciting Territory for Quantum Chemistry
Author(s) -
Clémence Corminbœuf
Publication year - 2014
Publication title -
chimia
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.387
H-Index - 55
eISSN - 2673-2424
pISSN - 0009-4293
DOI - 10.2533/chimia.2014.512
Subject(s) - intermolecular force , van der waals force , chemical physics , quantum chemical , nanotechnology , density functional theory , molecule , chemistry , computational chemistry , physics , statistical physics , materials science , quantum mechanics
van der Waals interactions occur in all molecules and intermolecular complexes but are poorly described by the most widely used electronic structure framework. This paper addresses the efforts pursued in our laboratory to improve the performance of standard density functional approximations and deliver modern strategies to analyze and fine-tune the underlying physics of intra- and intermolecular interactions.