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Inorganic Chemistry

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periodic systems

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3 results in Keywords: periodic systems

Physical Chemistry

Improved Band Gaps and Structural Properties from Wannier-Fermi-Lowdin Self-Interaction Corrections for Periodic Systems

Ravindra Shinde, Sharma Yamijala, Bryan Wong

Version 1 posted 15 October 2020

439

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Physical Chemistry

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

555

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Theoretical and Computational Chemistry

Implementation of Real-Time TDDFT for Periodic Systems in the Open-Source PySCF Software Package

Kota Hanasaki, Zulfikhar Ali, Min Choi, Mauro Del Ben, Bryan Wong

Version 1 posted 07 December 2022

452

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