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6 results in Keywords: quantum embedding

Materials Chemistry

Working Paper

Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory

Abhishek Mitra, Matthew Hermes, Laura Gagliardi

Version 2 posted 13 March 2023

326

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Theoretical and Computational Chemistry

Working Paper

Frozen-Density Embedding Based Many-Body Expansions

Daniel Schmitt-Monreal, Christoph R. Jacob

Version 2 posted 09 March 2020

624

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Theoretical and Computational Chemistry

Working Paper

Polarizable Density Embedding for Large Biomolecular Systems

Peter Reinholdt, Frederik Kamper Jørgensen, Jacob Kongsted, Jógvan Magnus Haugaard Olsen

Version 2 posted 22 July 2020

727

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Theoretical and Computational Chemistry

Working Paper

Periodic Density Matrix Embedding for CO Adsorption on the MgO(001)Surface

Abhishek Mitra, Matthew Hermes, Minsik Cho, Valay Agarwal, Laura Gagliardi

Version 1 posted 21 June 2022

259

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Physical Chemistry

Working Paper

Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

Abhishek Mitra, Hung Pham, Riddhish Pandharkar, Matthew Hermes, Laura Gagliardi

Version 1 posted 04 October 2021

483

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Theoretical and Computational Chemistry

Working Paper

Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities

Daniel Graham, Xuelan Wen, Dhabih V. Chulhai, Jason Goodpaster

Version 1 posted 26 July 2021

264

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6 results in quantum embedding in Keywords: quantum embedding

Density Matrix Embedding Using Multiconfiguration Pair-Density Functional Theory

Frozen-Density Embedding Based Many-Body Expansions

Polarizable Density Embedding for Large Biomolecular Systems

Periodic Density Matrix Embedding for CO Adsorption on the MgO(001)Surface

Excited States of Crystalline Point Defects with Multireference Density Matrix Embedding Theory

Huzinaga Projection Embedding for Efficient and Accurate Energies of Systems with Localized Spin-densities

6 results in Keywords: quantum embedding