Ezekiel Oyeniyi | University of Ibadan

Ezekiel Oyeniyi

4 Questions 5 Answers 0 Followers

Questions related from Ezekiel Oyeniyi

Absorption spectra in EOM-CCSD

Please, can I calculate absorption spectra within the EOM-CCSD in ORCA? Thanks

06 June 2017 4,251 2 View

What is the multiplicity of ZnS molecule (dimer) using Orca?

What is the multiplicity of ZnS molecule (dimer) using Orca?

06 June 2016 7,129 2 View

What could be responsible for negative HOMO-LUMO gap and negative excitation level using EOM-CCSD and TDDFT?

What could be responsible for negative HOMO-LUMO gap and negative excitation level using EOM-CCSD and TDDFT?

04 April 2016 5,099 6 View

What is the difference between DFTB and Tight binding method?

DFTB-Density function tight binding

09 September 2015 185 1 View