Find answers or ask questions regarding Dalton calculations.
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Posts: 22
Joined: 15 Dec 2013, 22:25
First name(s): Angelo
Middle name(s): Domenico
Last name(s): Quartarolo
Affiliation: High School
Country: Italy


Post by quartarolo » 31 Jan 2014, 14:19

Dear All,
for DFT phosphorescence calculations, the use of the .ECPHOSPH keyword is it correct to use also when no pseudopotentials centers are defined? Is it an alternative way to the AMFI approximation for accounting spin-orbit effects?
Kind regards

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