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The Journal of Chemical Physics|February 16, 2015
First-order derivative couplings between excited states from adiabatic TDDFT response theoryQi Ou, Gregory D Bellchambers, Filipp Furche, et al.
The Journal of Chemical Physics|October 10, 2019
Effective one-particle energies from generalized Kohn-Sham random phase approximation: A direct approach for computing and analyzing core ionization energiesVamsee K Voora, Randima Galhenage, John C Hemminger, et al.
The Journal of Chemical Physics|May 9, 2016
Accelerating molecular property calculations with nonorthonormal Krylov space methodsFilipp Furche, Brandon T Krull, Brian D Nguyen, et al.
The Journal of Physical Chemistry. A|July 16, 2024
Chemically Accurate Singlet-Triplet Gaps of Arylcarbenes from Local Hybrid Density FunctionalsRobin Grotjahn, Justin Purnomo, Dayun Jin, et al.
The Journal of Chemical Physics|February 2, 2015
Fully relativistic complete active space self-consistent field for large molecules: quasi-second-order minimax optimizationJefferson E Bates, Toru Shiozaki
Physical Review Letters|October 4, 2003
Photoelectron spectroscopy of C(84) dianionsOli T Ehrler, J Mathias Weber, Filipp Furche, et al.
Journal of Chemical Theory and Computation|March 6, 2025
Frozen-Core Analytical Gradients within the Adiabatic Connection Random-Phase Approximation from an Extended LagrangianJefferson E Bates, Henk Eshuis
Inorganic Chemistry|May 3, 2022
Synthesis and Reduction of Heteroleptic Bis(cyclopentadienyl) Uranium(III) ComplexesJustin C Wedal, Joseph W Ziller, Filipp Furche, et al.
The Journal of Chemical Physics|April 20, 2005
Photoelectron spectroscopy of fullerene dianions C76(2-), C78(2-), and C84(2-)Oli T Ehrler, Filipp Furche, J Mathias Weber, et al.
Journal of Chemical Theory and Computation|March 13, 2019
Assessment of Density Functional Theory in Predicting Interaction Energies between Water and Polycyclic Aromatic Hydrocarbons: from Water on Benzene to Water on GrapheneAdeayo O Ajala, Vamsee Voora, Narbe Mardirossian, et al.
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