@Danylo_Zherebetskyy

Danylo Zherebetskyy

2 Questions 22 Answers 0 Followers

Questions related from Danylo Zherebetskyy

Is it possible and how to calculate absolute (relative to vacuum) orbital alignment between molecule-molecule, molecule-surface?

Orbital Energy alignment

01 January 2014 1,869 0 View

How to calculate charge transfer between two molecules/particles under external potential?

I want to know how is charge transfer calculated, using VASP for example.

12 December 2013 3,268 2 View

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