Publications by authors named "Riddhish Pandharkar"

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The OpenMolcas : A Community-Driven Approach to Advancing Computational Chemistry.
Giovanni Li Manni, Ignacio Fdez Galván, Ali Alavi, Flavia Aleotti, Francesco Aquilante, Riddhish Pandharkar

J Chem Theory Comput· October 2023

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Localized Quantum Chemistry on Quantum Computers.
Matthew Otten, Matthew R Hermes, Riddhish Pandharkar, Yuri Alexeev, Stephen K Gray

J Chem Theory Comput· December 2022

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Localized Active Space-State Interaction: a Multireference Method for Chemical Insight.
Riddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, Laura Gagliardi

J Chem Theory Comput· November 2022

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Multireference Study of Optically Addressable Vanadium-Based Molecular Qubit Candidates.
Teffanie Goh, Riddhish Pandharkar, Laura Gagliardi

J Phys Chem A· September 2022

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Multiconfiguration Pair-Density Functional Theory for Chromium(IV) Molecular Qubits.
Arturo Sauza-de la Vega, Riddhish Pandharkar, Gautam D Stroscio, Arup Sarkar, Donald G Truhlar

JACS Au· September 2022

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Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory.
Chen Zhou, Matthew R Hermes, Dihua Wu, Jie J Bao, Riddhish Pandharkar

Chem Sci· July 2022

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Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory.
Abhishek Mitra, Hung Q Pham, Riddhish Pandharkar, Matthew R Hermes, Laura Gagliardi

J Phys Chem Lett· December 2021

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Localized Active Space Pair-Density Functional Theory.
Riddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, Donald G Truhlar, Laura Gagliardi

J Chem Theory Comput· May 2021

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A New Mixing of Nonlocal Exchange and Nonlocal Correlation with Multiconfiguration Pair-Density Functional Theory.
Riddhish Pandharkar, Matthew R Hermes, Donald G Truhlar, Laura Gagliardi

J Phys Chem Lett· December 2020

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Isomerization and Selective Hydrogenation of Propyne: Screening of Metal-Organic Frameworks Modified by Atomic Layer Deposition.
Ryan A Hackler, Riddhish Pandharkar, Magali S Ferrandon, In Soo Kim, Nicolaas A Vermeulen

J Am Chem Soc· December 2020

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Variational Localized Active Space Self-Consistent Field Method.
Matthew R Hermes, Riddhish Pandharkar, Laura Gagliardi

J Chem Theory Comput· August 2020

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Spin-State Ordering in Metal-Based Compounds Using the Localized Active Space Self-Consistent Field Method.
Riddhish Pandharkar, Matthew R Hermes, Christopher J Cramer, Laura Gagliardi

J Phys Chem Lett· September 2019

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