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[HTML][HTML] A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
Two hydrogen-rich materials, H 3 S and LaH 10, synthesized at megabar pressures, have
revolutionized the field of condensed matter physics providing the first glimpse to the …
revolutionized the field of condensed matter physics providing the first glimpse to the …
Nuclear effective field theory: status and perspectives
The nuclear-physics landscape has been redesigned as a sequence of effective field
theories (EFTs) connected to the standard model through symmetries and lattice simulations …
theories (EFTs) connected to the standard model through symmetries and lattice simulations …
High-photon-loss threshold quantum computing using ghz-state measurements
We propose fault-tolerant architectures based on performing projective measurements in the
Greenberger–Horne–Zeilinger (GHZ) basis on constant-sized, entangled resource states …
Greenberger–Horne–Zeilinger (GHZ) basis on constant-sized, entangled resource states …
Universal generalization of density functional theory for static correlation
A major challenge for density functional theory (DFT) is its failure to treat static correlation,
yielding errors in predicted charges, band gaps, van der Waals forces, and reaction barriers …
yielding errors in predicted charges, band gaps, van der Waals forces, and reaction barriers …
Ensemble reduced density matrix functional theory for excited states and hierarchical generalization of Pauli's exclusion principle
We propose and work out a reduced density matrix functional theory (RDMFT) for calculating
energies of eigenstates of interacting many-electron systems beyond the ground state …
energies of eigenstates of interacting many-electron systems beyond the ground state …
Combining Eliashberg theory with density functional theory for the accurate prediction of superconducting transition temperatures and gap functions
We propose a practical alternative to Eliashberg equations for the ab initio calculation of
superconducting transition temperatures and gap functions. Within the recent density …
superconducting transition temperatures and gap functions. Within the recent density …
Electron correlation in the iron (II) porphyrin by natural orbital functional approximations
The relative stability of the singlet, triplet, and quintet spin states of iron (II) porphyrin (FeP)
represents a challenging problem for electronic structure methods. While it is currently …
represents a challenging problem for electronic structure methods. While it is currently …
Exploring the potential of natural orbital functionals
M Piris - Chemical Science, 2024 - pubs.rsc.org
In recent years, Natural Orbital Functional (NOF) theory has gained increasing significance
in quantum chemistry, successfully addressing one of the field's most challenging problems …
in quantum chemistry, successfully addressing one of the field's most challenging problems …
Comparison of density-matrix corrections to density functional theory
Density functional theory (DFT), one of the most widely utilized methods available to
computational chemistry, fails to describe systems with statically correlated electrons. To …
computational chemistry, fails to describe systems with statically correlated electrons. To …
Foundation of one-particle reduced density matrix functional theory for excited states
In Phys. Rev. Lett. 2021, 127, 023001 a reduced density matrix functional theory (RDMFT)
was proposed for calculating energies of selected eigenstates of interacting many-Fermion …
was proposed for calculating energies of selected eigenstates of interacting many-Fermion …