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Sponsored Artificial Intelligence: A Modern Approach, Global Edition Artificial Intelligence: A Modern Approach, Global Edition

Author

A. K. Pupeza

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Aug 2026

NOPT: Quantum chemistry package for multireference perturbation theory calculations and its non-orthogonal extensions.

NOPT is an ab initio package for calculations using Non-Orthogonal methods and multireference Perturbation Theory. It can be used both as a ready-to-use quantum chemistry program and as an open-source system for modifying existing methods and developing new ones. The key functionality includes restricted Hartree-Fock,...

I. O. Glebov, V. V. Poddubnyy, D. Khokhlov et al. · 0 citations

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