Recent Advances in Density Functional Methods Part III

By Vincenzo Barone, A. Bencini, P. Fantucci. 2002

139 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics

View Paper: https://www.semanticscholar.org/paper/2b8ec61dbc8451850b7f30f47d1d62241e9109fa

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Dimitrios A. Pantazis
2. Frank Neese
3. M. Orio

Citations in the corpus

• Enhanced Two‐Photon Absorption of Organic Chromophores: Theoretical and Experimental Assessments (2008, methodology): “[171,259] We assume that Vn is positive (negative) for all n> 0 (n< 0) according to the conventionV n 1⁄4 Vn.”
• Density functional theory (2009, methodology): “In all DFT investigations of EPR parameters specifically developed basis sets with extra flexibility in the core region such as Barone’s EPR-II and EPR-III (Barone 1997) or the CP(PPP) basis sets (Neese 2002) should be employed.”
• Tuned range-separated hybrids in density functional theory. (2010, background): “j s ( 2Wkq , j s √ ωqkωs j + ω2 qkδ(qk)(s j ) ) zs j = (2)ALRzqk, (43)”