Organismic materials for beyond von Neumann machines
The elementary basis of intelligence in organisms with a central nervous system includes
neurons and synapses and their complex interconnections forming neural circuits. In non …
neurons and synapses and their complex interconnections forming neural circuits. In non …
Lifshitz transition and frustration of magnetic moments in infinite-layer upon hole do**
I Leonov, SL Skornyakov, SY Savrasov - Physical Review B, 2020 - APS
Motivated by the recent discovery of superconductivity in infinite-layer (Sr, Nd) NiO 2 films
with Sr content x≃ 0.2 [D. Li, Nature (London) 572, 624 (2019) NATUAS 0028-0836 …
with Sr content x≃ 0.2 [D. Li, Nature (London) 572, 624 (2019) NATUAS 0028-0836 …
Ground-state properties of the hydrogen chain: dimerization, insulator-to-metal transition, and magnetic phases
Accurate and predictive computations of the quantum-mechanical behavior of many
interacting electrons in realistic atomic environments are critical for the theoretical design of …
interacting electrons in realistic atomic environments are critical for the theoretical design of …
Many-Body Electronic Structure of and
The demonstration of superconductivity in nickelate analogs of high T c cuprates provides
new perspectives on the physics of correlated electron materials. The degree to which the …
new perspectives on the physics of correlated electron materials. The degree to which the …
Comparative many-body study of and
We study the many-body electronic structure of the stoichiometric and electron-doped
trilayer nickelate Pr 4 Ni 3 O 8 in comparison to that of the stoichiometric and hole-doped …
trilayer nickelate Pr 4 Ni 3 O 8 in comparison to that of the stoichiometric and hole-doped …
Electronic structure of superconducting nickelates probed by resonant photoemission spectroscopy
The discovery of infinite-layer nickelate superconductors has spurred enormous interest.
While the Ni 1+ cations possess nominally the same 3d 9 configuration as Cu 2+ in …
While the Ni 1+ cations possess nominally the same 3d 9 configuration as Cu 2+ in …
Dependence of results on the construction of the correlated orbitals
The sensitivity of density functional theory plus dynamical mean field theory calculations to
different constructions of the correlated orbitals is investigated via a detailed comparison of …
different constructions of the correlated orbitals is investigated via a detailed comparison of …
Mass enhancement in and perovskites from symmetry breaking
In some d-electron oxides, the measured effective mass m exptl* has long been known to be
significantly larger than the model effective mass m model* deduced from mean-field band …
significantly larger than the model effective mass m model* deduced from mean-field band …
Molecules in environments: Toward systematic quantum embedding of electrons and Drude oscillators
We develop a quantum embedding method that enables accurate and efficient treatment of
interactions between molecules and an environment, while explicitly including many-body …
interactions between molecules and an environment, while explicitly including many-body …
Many-body electronic structure of layered nickelates
The recent observation of superconductivity in an infinite-layer and quintuple-layer nickelate
within the same R n+ 1 Ni n O 2 n+ 2 series (R= rare-earth, n= 2−∞, with n indicating the …
within the same R n+ 1 Ni n O 2 n+ 2 series (R= rare-earth, n= 2−∞, with n indicating the …