Adaptive variational quantum imaginary time evolution approach for ground state preparation
An adaptive variational quantum imaginary time evolution (AVQITE) approach is introduced
that yields efficient representations of ground states for interacting Hamiltonians on near …
that yields efficient representations of ground states for interacting Hamiltonians on near …
A static quantum embedding scheme based on coupled cluster theory
We develop a static quantum embedding scheme that utilizes different levels of
approximations to coupled cluster (CC) theory for an active fragment region and its …
approximations to coupled cluster (CC) theory for an active fragment region and its …
Fully algebraic and self-consistent effective dynamics in a static quantum embedding
Quantum embedding approaches involve the self-consistent optimization of a local fragment
of a strongly correlated system, entangled with the wider environment. The 'energy …
of a strongly correlated system, entangled with the wider environment. The 'energy …
Effective Reconstruction of Expectation Values from Ab Initio Quantum Embedding
Quantum embedding is an appealing route to fragment a large interacting quantum system
into several smaller auxiliary “cluster” problems to exploit the locality of the correlated …
into several smaller auxiliary “cluster” problems to exploit the locality of the correlated …
Charge self-consistent density functional theory plus ghost rotationally invariant slave-boson theory for correlated materials
We present a charge self-consistent density functional theory combined with the ghost
rotationally invariant slave-boson (DFT+ gRISB) formalism for studying correlated materials …
rotationally invariant slave-boson (DFT+ gRISB) formalism for studying correlated materials …
A unified density matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation
S Sekaran, O Bindech, E Fromager - The Journal of Chemical Physics, 2023 - pubs.aip.org
The equivalence in one-electron quantum baths between the practical implementation of
density matrix embedding theory (DMET) and the more recent Householder-transformed …
density matrix embedding theory (DMET) and the more recent Householder-transformed …
Derivation of the ghost Gutzwiller approximation from quantum embedding principles: Ghost density matrix embedding theory
N Lanatà - Physical Review B, 2023 - APS
Establishing the underlying links between the diverse landscape of theoretical frameworks
for simulating strongly correlated matter is crucial for advancing our understanding of these …
for simulating strongly correlated matter is crucial for advancing our understanding of these …
Portobello-Quantum embedding in correlated materials made accessible
We present a platform for quantum embedding methods, Portobello, which facilitates
efficient software development and ease of use by assimilating legacy electronic structure …
efficient software development and ease of use by assimilating legacy electronic structure …
Gutzwiller hybrid quantum-classical computing approach for correlated materials
Rapid progress in noisy intermediate-scale quantum (NISQ) computing technology has led
to the development of novel resource-efficient hybrid quantum-classical algorithms, such as …
to the development of novel resource-efficient hybrid quantum-classical algorithms, such as …
Origin of Interfacial Orbital Reconstruction in Perovskite Superlattices
W Yang, Y Ni, Y Liu, X Feng, J Hu, WM Liu, R Wu… - Physical Review Letters, 2024 - APS
The competition between on-site electronic correlation and local crystal field stands out as a
captivating topic in research. However, its physical ramifications often get overshadowed by …
captivating topic in research. However, its physical ramifications often get overshadowed by …