73 citations · 130 across the 7 of their papers we have counts for
7 papers
The Dose Makes the Poison: Perturbative Steps Toward the Ultimate Linearized Coupled Cluster Method
Sylvia J. Bintrim, Ella R. Ransford, Kevin Carter-Fenk
"Addition-by-subtraction" coupled cluster (CC) approaches provide a promising approach to treating the difficult strong correlation problem by simplifying the standard CC equations…
Optimal-Reference Excited State Methods: Static Correlation at Polynomial Cost with Single-Reference Coupled-Cluster Approaches
Sylvia J. Bintrim, Kevin Carter-Fenk
Accurate yet efficient modeling of chemical systems with pronounced static correlation in their excited states remains a significant challenge in quantum chemistry, as most electro…
Interplay between local moment and itinerant magnetism in the layered metallic antiferromagnet TaFeTe
Sae Young Han, Evan J. Telford, Asish K. Kundu +12
Two-dimensional (2D) antiferromagnets have garnered considerable interest for the next generation of functional spintronics. However, many available bulk materials from which 2D an…
Integral-direct Hartree-Fock and Møller-Plesset Perturbation Theory for Periodic Systems with Density Fitting: Application to the Benzene Crystal
Sylvia J. Bintrim, Timothy C. Berkelbach, Hong-Zhou Ye
We present an algorithm and implementation of integral-direct, density-fitted Hartree-Fock (HF) and second-order Møller-Plesset perturbation theory (MP2) for periodic systems. The…
Full-frequency dynamical Bethe-Salpeter equation without frequency and a study of double excitations
Sylvia J. Bintrim, Timothy C. Berkelbach
The Bethe-Salpeter equation (BSE) that results from the GW approximation to the self-energy is a frequency-dependent (nonlinear) eigenvalue problem due to the dynamically screened…
A simplified GW/BSE approach for charged and neutral excitation energies of large molecules and nanomaterials
Yeongsu Cho, Sylvia J. Bintrim, Timothy C. Berkelbach
Inspired by Grimme's simplified Tamm-Dancoff density functional theory approach [S. Grimme, J. Chem. Phys. \textbf{138}, 244104 (2013)], we describe a simplified approach to excite…
Full-Frequency GW without Frequency
Sylvia J. Bintrim, Timothy C. Berkelbach
Efficient computer implementations of the GW approximation must approximate a numerically challenging frequency integral; the integral can be performed analytically, but doing so l…