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The configuration interaction relativistic Hartree-Fock (CI-RHF) model is developed in this work. Compared to the conventional configuration interaction shell model calculations, the CI-RHF model can be applied to study the structural properties of a

Externí odkaz: http://arxiv.org/abs/2411.05370

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Accelerating Fock build via hybrid analytical-numerical integration

Autor: Zhang, Yong, Lei, Rongding, Suo, Bingbing, Liu, Wenjian

A very robust and efficient hybrid analytic-numerical Fock build, aMECP+aCOSx, has been developed for accelerating HF/DFT calculations. The essential idea is to extract those portions of the Fock matrix that can readily be evaluated analytically, so

Externí odkaz: http://arxiv.org/abs/2411.01526

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Variational formulation of dynamical electronic response functions in Bethe-Salpeter, (screened) Hartree-Fock, Hybrid-DFT approaches

Autor: Caldarelli, Giovanni, Guandalini, Alberto, Macheda, Francesco, Mauri, Francesco

For the large class of systems described via a time-dependent self-consistent mean field Hamiltonian including (screened) Hartree-Fock exchange, we demonstrate that any electronic linear response function allows for a formulation which is variational

Externí odkaz: http://arxiv.org/abs/2410.22889

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Monte Carlo Methods in the Manifold of Hartree-Fock-Bogoliubov Wave Functions

Autor: Vitali, Ettore, Rosenberg, Peter, Zhang, Shiwei

We explore the possibility to implement random walks in the manifold of Hartree-Fock-Bogoliubov wave functions. The goal is to extend state-of-the-art quantum Monte Carlo approaches, in particular the constrained-path auxiliary-field quantum Monte Ca

Externí odkaz: http://arxiv.org/abs/2409.11571

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A class of Berezin-type operators on weighted Fock spaces with $A_{\infty}$-type weights

Autor: Chen, Jiale

Let $0<\alpha,\beta,t<\infty$ and $\mu$ be a positive Borel measure on $\mathbb{C}^n$. We consider the Berezin-type operator $S^{t,\alpha,\beta}_{\mu}$ defined by $$S^{t,\alpha,\beta}_{\mu}f(z):=\left(\int_{\mathbb{C}^n}e^{-\frac{\beta}{2}|z-u|^2}|f(

Externí odkaz: http://arxiv.org/abs/2409.01132

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