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Inorganic Chemistry

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Physical Chemistry

(2)

Theoretical and Computational Chemistry

(4)

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Working Paper

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Over 3 years

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Nicholas Mayhall

5 results in Authors: Nicholas Mayhall

Theoretical and Computational Chemistry

Automatic Partition of Orbital Spaces Based on Singular Value Decomposition in the Context of Embedding Theories

Daniel Claudino, Nicholas Mayhall

Version 2 posted 05 November 2018

1,469

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Inorganic Chemistry

A Combined Spin-Flip and IP/EA Approach for Handling Spin and Spatial Degeneracies: Application to Double Exchange Systems

Shannon Houck, Nicholas Mayhall

Version 1 posted 11 December 2018

883

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Theoretical and Computational Chemistry

Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization

Daniel Claudino, Nicholas Mayhall

Version 2 posted 11 July 2019

605

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Theoretical and Computational Chemistry

Spin-Orbit Matrix Elements for a Combined Spin-Flip and IP/EA Approach

Oinam Meitei, Shannon Houck, Nicholas Mayhall

Version 1 posted 29 January 2020

1,126

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Physical Chemistry

Revealing the contest between triplet-triplet exchange and triplet-triplet energy transfer coupling in correlated triplet pair states in singlet fission

Vibin Abraham, Nicholas Mayhall

Version 2 posted 21 October 2021

846

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