activity
20152026
most citedQuantum embedding methods for correlated excited states of point defects: Case studies and challenges

69 citations · 607 across the 29 of their papers we have counts for

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Showing 2023Show all

5 papers · 1 filter

physics.comp-ph2023★ 6 cited

TRIQS/Nevanlinna: Implementation of the Nevanlinna Analytic Continuation method for noise-free data

Sergei Iskakov, Alexander Hampel, Nils Wentzell +1

We present the TRIQS/Nevanlinna analytic continuation package, an efficient implementation of the methods proposed by J. Fei et al in [Phys. Rev. Lett. 126, 056402 (2021)] and [Phy…

cond-mat.mtrl-sci2023

Dielectric environment sensitivity of carbon centres in hexagonal boron nitride

Danis I. Badrtdinov, Carlos Rodriguez-Fernandez, Magdalena Grzeszczyk +11

A key advantage of utilizing van der Waals materials as defect-hosting platforms for quantum applications is the controllable proximity of the defect to the surface or the substrat…

cond-mat.str-el2023★ 6 cited

Conductivity of infinite-layer NdNiO as a probe of spectator bands

Harrison LaBollita, Alexander Hampel, Jonathan Karp +2

Using a density-functional theory plus dynamical mean-field theory methodology, we compute the many-body electronic structure and optical conductivity of NdNiO under the infl…

cond-mat.str-el2023★ 7 cited

Orbital polarization, charge transfer, and fluorescence in reduced valence nickelates

M. R. Norman, A. S. Botana, J. Karp +6

This paper presents a simple formalism for calculating X-ray absorption (XAS) and resonant inelastic x-ray scattering (RIXS) that has as input orbital-resolved density of states fr…

cond-mat.str-el2023★ 9 cited

Low rank Green's function representations applied to dynamical mean-field theory

Nan Sheng, Alexander Hampel, Sophie Beck +4

Several recent works have introduced highly compact representations of single-particle Green's functions in the imaginary time and Matsubara frequency domains, as well as efficient…