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List of works by Nathan Luehr

An atomic orbital-based formulation of analytical gradients and nonadiabatic coupling vector elements for the state-averaged complete active space self-consistent field method on graphical processing units

scientific article

An atomic orbital-based formulation of the complete active space self-consistent field method on graphical processing units.

scientific article published in June 2015

Analytic first derivatives of floating occupation molecular orbital-complete active space configuration interaction on graphical processing units.

scientific article published in July 2015

TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units

scientific article published on 01 June 2020

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