Nathan Luehr - Dissemin

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All papers authored by Nathan Luehr

This paper was not found in any repository, but could be made available legally by the author.

This paper was not found in any repository, but could be made available legally by the author.

2020 Stefan Seritan

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, Christoph Bannwarth

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, Bryan S. Fales

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, Edward G. Hohenstein

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, Christine M. Isborn, Sara I. L. Kokkila‐Schumacher

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, Xin Li

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, Fang Liu

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, Nathan Luehr

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, James W. Snyder, Chenchen Song

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, Alexey V. Titov, Ivan S. Ufimtsev

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, Lee‐Ping Wang

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, Todd J. Martínez

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TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics

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This paper was not found in any repository, but could be made available legally by the author.

2015 James W. Snyder, Edward G. Hohenstein, Nathan Luehr

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, Todd J. Martínez

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

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This paper was not found in any repository, but could be made available legally by the author.

Edward G. Hohenstein, Marine E. F. Bouduban, Chenchen Song

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, Nathan Luehr

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, Ivan S. Ufimtsev, Todd J. Martínez

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

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