Thais R Scott

2PUBLICATIONS
6CO-AUTHORS
Numerical solution of differential and integral equationsTheoretical quantum chemistry
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Publications (2)

|Feb 20, 2021
Analytic gradients for multiconfiguration pair-density functional theory with density fitting: Development and application to geometry optimization in the ground and excited states.

Thais R Scott, Meagan S Oakley, Matthew R Hermes

|Jul 10, 2020
Analytic gradients for state-averaged multiconfiguration pair-density functional theory.

Thais R Scott, Matthew R Hermes, Andrew M Sand

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Frequent Collaborators

2 joint publications

Andrew M Sand

2 joint publications

Meagan S Oakley

2 joint publications

Donald G Truhlar

2 joint publications

Laura Gagliardi