Category:
Theoretical and Computational Chemistry
,
Working Paper
, Title:
Algorithm for Analytic Nuclear Energy Gradients of State Averaged DMRG-CASSCF Theory with Newly Derived Coupled-Perturbed Equations
, Authors:
Tsubasa Iino, Toru Shiozaki, Takeshi Yanai
Version 2 posted 06 December 2022
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