Restoring Symmetry and Enhancing Exchange via Chiral Molecular-Magnetic Hexagons. [PDF]
Pederson MR +4 more
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Ionic conjugated polyelectrolyte electron‐blocking layers enable photomultiplication organic photodetectors with dark current robustness up to −10 V and external quantum efficiencies exceeding 3000%. Fowler–Nordheim tunneling, interfacial dipole, trap density of states, and noise analyses reveal how ionic conjugated polyelectrolytes suppress electron ...
Yelim Kang +12 more
wiley +1 more source
A Novel Implementation of CCSD Analytic Gradients Using Cholesky Decomposition of the Two-Electron Integrals and Abelian Point-Group Symmetry. [PDF]
Melega L +3 more
europepmc +1 more source
Renormalization and low-energy effective models in cavity and circuit quantum electrodynamics. [PDF]
Lamberto D +4 more
europepmc +1 more source
Unitary Coupled-Cluster Theory for the Treatment of Molecules in Strong Magnetic Fields. [PDF]
Grazioli L, Kitsaras MP, Stopkowicz S.
europepmc +1 more source
The Electronic Structure of Planar Rhombic Co<sub>2</sub>O<sub>2</sub>. [PDF]
Du D +5 more
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Unconventional high-harmonic generation in resonant membrane metasurfaces. [PDF]
Tonkaev P +7 more
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Energy Shifts in Predissociating Levels of Diatomic Molecules: The Case of N<sub>2</sub> (C ″<sup>5</sup>Π <sub><i>u</i></sub> ) and N<sub>2</sub> (1 <sup>7</sup>Σ <sub><i>u</i></sub> <sup>+</sup>) Interacting States. [PDF]
Ventura LR +4 more
europepmc +1 more source
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Higher-order perturbative relativistic calculations for few-electron atoms and ions
Nuclear Instruments & Methods in Physics Research B, 2017Abstract An effective computational method is developed for electronic-structure calculations in few-electron atoms and ions on the basis of the Dirac-Coulomb-Breit Hamiltonian. The recursive formulation of the perturbation theory provides an efficient access to the higher-order contributions of the interelectronic interaction.
Gunter Plunien, V M Shabaev
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