Effects of Molecular Aggregation on Dynamic Third-Order Nonlinear Optical Responses: Oligo(thiophene-benzothiadiazole) as a Case Study. [PDF]
J Chem Theory ComputAhmadzadeh K +5 more
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Multiple sampling and interpolation in the classical Fock space
We study multiple sampling, interpolation and uniqueness for the classical Fock space in the case of unbounded ...
Borichev, Alexander +3 more
core
Training the parametric interactions in an analog bosonic quantum neural network with Fock basis measurement. [PDF]
Sci RepDudas J +4 more
europepmc +1 more source
Cartesian equivariant representations for learning and understanding molecular orbitals. [PDF]
Proc Natl Acad Sci U S AKing DS +6 more
europepmc +1 more source
A Superintegrable Quantum Field Theory. [PDF]
Commun Math PhysDe Clerck M, Evnin O.
europepmc +1 more source
Analytical Nuclear Gradients for State-Averaged Configuration Interaction Singles Variants: Application to Conical Intersections. [PDF]
J Chem Theory ComputTsuchimochi T.
europepmc +1 more source
Automated Discovery of Algorithms for Molecular Electronic Structure Calculations Using Physics-Informed Program Synthesis. [PDF]
J Am Chem SocAcheson K, Turanyi R, Habershon S.
europepmc +1 more source
A quantum-mechanical framework for million-atom scale biological systems. [PDF]
Commun ChemWieners L, Garcia ME.
europepmc +1 more source