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Jeffrey B Neaton

3PUBLICATIONS

129CO-AUTHORS

Theoretical quantum chemistryNumerical solution of differential and integral equationsStatistical mechanics in chemistry

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Publications (3)

Sort by Publication Date:

|Sep 02, 2021

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package.

Evgeny Epifanovsky, Andrew T B Gilbert, Xintian Feng

|Jul 16, 2021

A diagrammatic approach for automatically deriving analytical gradients of tensor hyper-contracted electronic structure methods.

Chenchen Song, Todd J Martínez, Jeffrey B Neaton

|Jan 08, 2021

Reduced scaling formulation of CASPT2 analytical gradients using the supporting subspace method.

Chenchen Song, Jeffrey B Neaton, Todd J Martínez

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Frequent Collaborators

2 joint publications

Chenchen Song

2 joint publications

Todd J Martínez

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

1 joint publications

Alec F White

1 joint publications

Marc P Coons

1 joint publications

Adrian L Dempwolff

1 joint publications

Diptarka Hait

1 joint publications

Ka Un Lao

1 joint publications

Daniel S Levine

Frequent Collaborators

2 joint publications

Chenchen Song

2 joint publications

Todd J Martínez

1 joint publications

Xintian Feng

1 joint publications

Yuezhi Mao

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