Lucas K. Wagner

activity

20232026

most citedDownfolding from Ab Initio to Interacting Model Hamiltonians: Comprehensive Analysis and Benchmarking of the DFT+cRPA Approach

27 citations · 36 across the 9 of their papers we have counts for

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Showing 2024Show all

2 papers · 1 filter

cond-mat.str-el2024

Capturing spin fluctuations in CaCuO $_{2}$ : $Ab initio$ QMC calculations with multi-determinant wave functions

Chun Yu Chow, William A. Wheeler, Lucas K. Wagner

We present an advanced $ab initio$ quantum Monte Carlo (QMC) calculation of the ground state of undoped CaCuO $_{2}$ . We extend the traditional single-determinant Slater-Jast…

cond-mat.str-el2024

Particle-hole asymmetric phases in doped twisted bilayer graphene

Run Hou, Shouvik Sur, Lucas K. Wagner +1

Despite much theoretical work, developing a comprehensive ab initio model for twisted bilayer graphene (TBG) has proven challenging due to the inherent trade-off between accurately…

Capturing spin fluctuations in CaCuO2​: Ab initio QMC calculations with multi-determinant wave functions

Particle-hole asymmetric phases in doped twisted bilayer graphene

Capturing spin fluctuations in CaCuO $_{2}$ : $Ab initio$ QMC calculations with multi-determinant wave functions