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Organometallic Chemistry

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Theoretical and Computational Chemistry

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Working Paper

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Kai Guther

3 results in Authors: Kai Guther

Theoretical and Computational Chemistry

Resolution of Low-Energy States in Spin-Exchange Transition-Metal Clusters: Case Study of Singlet States in [Fe(III)4S4] Cubanes

Giovanni Li Manni, Werner Dobrautz, Nikolay A. Bogdanov, Kai Guther, Ali Alavi

Version 1 posted 29 October 2020

386

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Theoretical and Computational Chemistry

Stochastic Generalized Active Space Self-Consistent Field: Theory and Application

Oskar Weser, Kai Guther, Khaldoon Ghanem, Giovanni Li Manni

Version 2 posted 20 September 2021

560

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Organometallic Chemistry

Chemical insights into the electronic structure of Fe(II) porphyrin using FCIQMC, DMRG, and generalized active spaces

Oskar Weser, Leon Freitag, Kai Guther, Ali Alavi, Giovanni Li Manni

Version 2 posted 01 October 2020

711

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