28 citations · 28 across the 2 of their papers we have counts for
5 papers
Time-dependent coupled cluster with orthogonal adaptive basis functions: General formalism and application to the vibrational problem
Mads Greisen Højlund, Alberto Zoccante, Ove Christiansen
We derive equations of motion for bivariational wave functions with orthogonal adaptive basis sets and specialize the formalism to the coupled cluster ansatz. The equations are rel…
Quantum-embedding description of the Anderson lattice model with the ghost Gutzwiller Approximation
Marius S. Frank, Tsung-Han Lee, Gargee Bhattacharyya +5
We present benchmark calculations of the Anderson lattice model based on the recently-developed "ghost Gutzwiller approximation". Our analysis shows that, in some parameters regime…
Vibrationally Resolved Coupled Cluster X-Ray Absorption Spectra from Vibrational Configuration Interaction Anharmonic Calculations
Torsha Moitra, Diana Madsen, Ove Christiansen +1
Vibrationally resolved near-edge x-ray absorption spectra at the K-edge for a number of small molecules have been computed from anharmonic vibrational configuration interaction cal…
Bypassing the computational bottleneck of quantum-embedding theories for strong electron correlations with machine learning
John Rogers, Tsung-Han Lee, Sahar Pakdel +5
A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate comput…
Adaptive Density-Guided Approach to Double Incremental Potential Energy Surface Construction
Denis G. Artiukhin, Emil Lund Klinting, Carolin König +1
We present a combination of the recently developed double incremental expansion of potential energy surfaces with the well-established adaptive density-guided approach to grid cons…