An efficient Fock space multi-reference coupled cluster method based on natural orbitals: Theory, implementation, and benchmark von Haldar, Soumi, Dutta, Achintya Kumar

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A similarity transformed second-order approximate coupled cluster method for the excited states: Theory, implementation, and benchmark von Haldar, Soumi, Mukhopadhyay, Tamoghna, Dutta, Achintya Kumar

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Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application von Haldar, Soumi, Riplinger, Christoph, Demoulin, Baptiste, Neese, Frank, Izsak, Robert, Dutta, Achintya Kumar

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A Multilayer Approach to the Equation of Motion Coupled-Cluster Method for the Electron Affinity von Haldar, Soumi, Dutta, Achintya Kumar

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Local Excitations of a Charged Nitrogen Vacancy in Diamond with Multireference Density Matrix Embedding Theory von Haldar, Soumi, Mitra, Abhishek, Hermes, Matthew R., Gagliardi, Laura

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Optical Properties of Neutral F Centers in Bulk MgO with Density Matrix Embedding von Verma, Shreya, Mitra, Abhishek, Jin, Yu, Haldar, Soumi, Vorwerk, Christian, Hermes, Matthew R., Galli, Giulia, Gagliardi, Laura

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Solvation effect on the vertical ionization energy of adenine‐thymine base pair: From microhydration to bulk von Mukherjee, Madhubani, Haldar, Soumi, Dutta, Achintya K.

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Molecular frame dipole moment of diatomic molecules within relativistic coupled‐cluster framework: A comparative study of expectation value versus energy derivative approach von Haldar, Soumi, Talukdar, Kaushik, Nayak, Malaya K., Pal, Sourav

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The Role of Electron Correlation Beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation von Haldar, Soumi, Mariano, Lorenzo A, Lunghi, Alessandro, Gagliardi, Laura

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A Similarity Transformed Second-order Approximate Coupled Cluster Method for the Excited States: Theory, Implementation, and Benchmark von Haldar, Soumi, Dutta, Achintya Kumar

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An Efficient Fock Space Multi-reference Coupled Cluster Method based on Natural Orbitals: Theory, Implementation, and Benchmark von Haldar, Soumi, Dutta, Achintya Kumar

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The Role of Electron Correlation Beyond the Active Space in Achieving Quantitative Predictions of Spin-Phonon Relaxation von Haldar, Soumi, Mariano, Lorenzo A, Lunghi, Alessandro, Gagliardi, Laura

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