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Explores quantum chemistry applications, emphasizing the role of electron density in predicting chemical properties and addressing challenges in catalyst design, solar energy conversion, and drug synthesis.
Explores electronic charge density, space-charge buildup, work function, charge transfer, molecular orbital theory, absorption geometry, and absorption on solids.
Explores the applications and challenges of Neural Quantum States in computational quantum science, including frustrated spins and quantum chemistry mappings.
Covers the derivation of Hartree-Fock equations, two-electron integrals, dynamical and static correlation, continuous basis functions, spin contamination, and the coupled cluster method.
