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Theoretical and Computational Chemistry

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LASSCF

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2 results in Keywords: LASSCF

Theoretical and Computational Chemistry

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

Version 1 posted 22 July 2019

552

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Theoretical and Computational Chemistry

Localized Active Space Pair-Density Functional Theory

Riddhish Pandharkar, Matthew R. Hermes, Christopher J. Cramer, Donald G. Truhlar, Laura Gagliardi

Version 1 posted 20 January 2021

383

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