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Journal of Chemical Theory and Computation
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July 30, 2016
From Model Hamiltonians to ab Initio Hamiltonians and Back Again: Using Single Excitation Quantum Chemistry Methods To Find Multiexciton States in Singlet Fission Materials
Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
August 23, 2017
Using Higher-Order Singular Value Decomposition To Define Weakly Coupled and Strongly Correlated Clusters: The n-Body Tucker Approximation
Nicholas J Mayhall
The Journal of Chemical Physics
|
August 8, 2021
Cluster many-body expansion: A many-body expansion of the electron correlation energy about a cluster mean field reference
Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
September 24, 2019
Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization
Daniel Claudino, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
November 24, 2015
Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 27, 2015
Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
February 4, 2026
Computing Exchange Coupling Constants in Transition Metal Complexes with Tensor Product Selected Configuration Interaction
Arnab Bachhar, Nicholas J Mayhall
The Journal of Physical Chemistry Letters
|
October 25, 2017
Simple Rule To Predict Boundedness of Multiexciton States in Covalently Linked Singlet-Fission Dimers
Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
December 1, 2015
Multiple Solutions to the Single-Reference CCSD Equations for NiH
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
July 25, 2022
Coupled Electron Pair-Type Approximations for Tensor Product State Wave Functions
Vibin Abraham, Nicholas J Mayhall
Page
of 5
Search research articles
Search
Showing results (1-10 of 48) with videos related to
Sort By:
Page
of 5
Journal of Chemical Theory and Computation
|
July 30, 2016
From Model Hamiltonians to ab Initio Hamiltonians and Back Again: Using Single Excitation Quantum Chemistry Methods To Find Multiexciton States in Singlet Fission Materials
Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
August 23, 2017
Using Higher-Order Singular Value Decomposition To Define Weakly Coupled and Strongly Correlated Clusters: The n-Body Tucker Approximation
Nicholas J Mayhall
The Journal of Chemical Physics
|
August 8, 2021
Cluster many-body expansion: A many-body expansion of the electron correlation energy about a cluster mean field reference
Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
September 24, 2019
Simple and Efficient Truncation of Virtual Spaces in Embedded Wave Functions via Concentric Localization
Daniel Claudino, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
November 24, 2015
Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
November 27, 2015
Molecules-in-Molecules: An Extrapolated Fragment-Based Approach for Accurate Calculations on Large Molecules and Materials
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
February 4, 2026
Computing Exchange Coupling Constants in Transition Metal Complexes with Tensor Product Selected Configuration Interaction
Arnab Bachhar, Nicholas J Mayhall
The Journal of Physical Chemistry Letters
|
October 25, 2017
Simple Rule To Predict Boundedness of Multiexciton States in Covalently Linked Singlet-Fission Dimers
Vibin Abraham, Nicholas J Mayhall
Journal of Chemical Theory and Computation
|
December 1, 2015
Multiple Solutions to the Single-Reference CCSD Equations for NiH
Nicholas J Mayhall, Krishnan Raghavachari
Journal of Chemical Theory and Computation
|
July 25, 2022
Coupled Electron Pair-Type Approximations for Tensor Product State Wave Functions
Vibin Abraham, Nicholas J Mayhall
Page
of 5