78 citations · 255 across the 9 of their papers we have counts for
9 papers
Shear viscosity coefficient of magnetized QCD medium with anomalous magnetic moments near chiral phase transition
Yi-Wei Qiu, Sheng-Qin Feng, Xue-Qiang Zhu
We study the properties of the shear viscosity coefficient of quark matter near the chiral phase transition at finite temperature and chemical potential, and the kinds of high temp…
Hybrid gausslet/Gaussian basis sets
Yiheng Qiu, Steven R. White
We introduce hybrid gausslet/Gaussian basis sets, where a standard Gaussian basis is added to a gausslet basis in order to increase accuracy near the nuclei while keeping the spaci…
Bypassing the energy functional in density functional theory: Direct calculation of electronic energies from conditional probability densities
Ryan J. McCarty, Dennis Perchak, Ryan Pederson +4
Density functional calculations can fail for want of an accurate exchange-correlation approximation. The energy can instead be extracted from a sequence of density functional calcu…
Discontinuous Galerkin discretization for quantum simulation of chemistry
Jarrod R. McClean, Fabian M. Faulstich, Qinyi Zhu +5
Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of corre…
Projected Coupled Cluster Theory: Optimization of cluster amplitudes in the presence of symmetry projection
Yiheng Qiu, Thomas M. Henderson, Jinmo Zhao +1
Methods which aim at universal applicability must be able to describe both weak and strong electronic correlation with equal facility. Such methods are in short supply. The combina…
Particle-number projected Bogoliubov coupled cluster theory. Application to the pairing Hamiltonian
Y. Qiu, T. M. Henderson, T. Duguet +1
While coupled cluster theory accurately models weakly correlated quantum systems, it often fails in the presence of strong correlations where the standard mean-field picture is qua…
Projected Coupled Cluster Theory
Yiheng Qiu, Thomas M. Henderson, Jinmo Zhao +1
Coupled cluster theory is the method of choice for weakly correlated systems. But in the strongly correlated regime, it faces a symmetry dilemma, where it either completely fails t…
Merging symmetry projection methods with coupled cluster theory: Lessons from the Lipkin model Hamiltonian
Jacob M Wahlen-Strothman, Thomas M. Henderson, Matthew R. Hermes +5
Coupled cluster and symmetry projected Hartree-Fock are two central paradigms in electronic structure theory. However, they are very different. Single reference coupled cluster is…
Projected Hartree Fock Theory as a Polynomial Similarity Transformation Theory of Single Excitations
Yiheng Qiu, Thomas M. Henderson, Gustavo E. Scuseria
Spin-projected Hartree-Fock is introduced as a particle-hole excitation ansatz over a symmetry-adapted reference determinant. Remarkably, this expansion has an analytic expression…