A Simple Effective <ns0:math><mi>&#916;</mi></math> SCF Method for Computing Optical Gaps in Organic Chromophores.

A Simple Effective Δ SCF Method for Computing Optical Gaps in Organic Chromophores.

Roy, Raj; Ghosal, Abhisek; Roy, Amlan K.

Afiliação

Roy R; Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata Nadia, Mohanpur, 741246, WB, India.
Ghosal A; Department of Chemical Sciences, Indian Institute of Science Education and Research (IISER) Kolkata Nadia, Mohanpur, 741246, WB, India.
Roy AK; Present Address : Department of Chemical Sciences, Tata Institute of Fundamental Research (TIFR), Mumbai, 400005, Maharastra, India.

Chem Asian J ; 16(18): 2729-2739, 2021 Sep 20.

Article em En | MEDLINE | ID: mdl-34331415