@Arun_Pal

Arun Kumar Pal

2 Questions 2 Answers 0 Followers

Questions related from Arun Kumar Pal

How can I convert Debye-ang (polarizability), Debye-ang**2 (first hyperpolarizability) and Debye-Ang**3 (second hyperpolarizability) to atomic unit?

I wanted to calculate the longitudinal (z-axis) static polarizability and hyperpolarizabilities beta and gamma of polybutatriene oligomers by using Gaussian09. I have used  [#P...

03 March 2017 3,656 1 View

Can I use g09 optimized geometry for calculating single point and broken symmetries by Orca 3.0.1 for organic systems having more than 2 radicals?

My system contains more than two radicals and I want to calculate all possible magnetic exchange coupling constants. I am using g09 for optimization. Orca 3.0.1 is intended to be used for single...

02 February 2014 1,705 1 View

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