A reorganized Hartree-Fock framework imposes tunable orbital locality by pairing local degrees of freedom with local solution conditions, maintaining efficient SCF optimization and competitive reaction-energy accuracy.
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4 Pith papers cite this work. Polarity classification is still indexing.
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Pith papers citing it
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2026 4verdicts
UNVERDICTED 4representative citing papers
The Pauli principle and nuclear spin isomers of ammonia molecules significantly reshape collective light-matter coupling in infrared cavities, demonstrated via numerical simulations for two molecules and an analytical model for ensembles.
A derivation of the Obara-Saika vertical recurrence for Gaussian ERIs is obtained solely from differential relations among basis functions, producing a hierarchical organization of the recursion.
Compares Lindblad, stochastic Schrödinger, and non-Hermitian methods for dissipative Na2-cavity dynamics and shows rotational nonadiabatic effects.
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Light-induced nonadiabatic dissipative quantum dynamics of the Na2 molecule
Compares Lindblad, stochastic Schrödinger, and non-Hermitian methods for dissipative Na2-cavity dynamics and shows rotational nonadiabatic effects.