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.
The Journal of Chemical Physics , volume =
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Polarization-controlled spectroscopy on conformationally flexible pentacene dimers shows persistent singlet-triplet mixing in the bound (TT1)1 state across bridging motifs, with decorrelation outcompeted by decay.
citing papers explorer
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Approximating Hartree-Fock theory via an efficiently local reformulation
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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Persistent singlet electronic character in the multiexcitonic triplet-pair state of strongly coupled pentacene singlet fission dimers
Polarization-controlled spectroscopy on conformationally flexible pentacene dimers shows persistent singlet-triplet mixing in the bound (TT1)1 state across bridging motifs, with decorrelation outcompeted by decay.