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Theoretical and Computational Chemistry

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multireference theory

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2 results in Keywords: multireference theory

Theoretical and Computational Chemistry

Algorithm for Analytic Nuclear Energy Gradients of State Averaged DMRG-CASSCF Theory with Newly Derived Coupled-Perturbed Equations

Tsubasa Iino, Toru Shiozaki, Takeshi Yanai

Version 2 posted 06 December 2022

478

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Theoretical and Computational Chemistry

Effects of CCSD effective Hamiltonian on Electronic Spectra of noble-gas atoms

Version 4 posted 05 June 2024

162

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