We present formalism and implementation of alanytic gradients for CCSD and EOM-CCSD energies computed using Cholesky decomposed electron repulsion integrals. Cholesky decomposition removes linear dependencies leading to the reduced size of two-electron integrals, which reduces disk requirements and improves parallel performance.

Implementation of analytic gradients for CCSD and EOM-CCSD using Cholesky representations of electron-repulsion integrals

254th National Meeting (2017)

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