相关论文: Electronic structure of semiconductor nanostructur…

Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…

We provide some analytical tests of the density of states estimation from the "localization landscape" approach of Ref. [Phys. Rev. Lett. 116, 056602 (2016)]. We consider two different solvable models for which we obtain the distribution of…

The current burst in research activities on disordered semiconductors calls for the development of appropriate theoretical tools that reveal the features of electron states in random potentials while avoiding the time-consuming numerical…

This paper presents a novel and efficient approach for the computation of energy eigenvalues in quantum semiconductor heterostructures. Accurate determination of the electronic states in these heterostructures is crucial for understanding…

In this work we introduce a procedure to find localized structures with finite energy. We start dealing with global monopoles, and add a new contribution to the potential of the scalar fields, to balance the contribution of the angular…

A field-theoretic formulation of a planar Hall-electron system with edges is presented and some fundamental aspects of the integer quantum Hall effect are studied with emphasis on clarifying general symmetry-based consequences of…

We have recently proposed a quantum control method based on the knowledge of the energy spectrum as a function of an external control parameter [Phys. Rev. Lett. {\bf 99}, 036806 (2007)]. So far, our method has been applied to connect the…

We present studies of the potential energy landscape of selected binary Lennard-Jones thirteen atom clusters. The effect of adding selected impurity atoms to a homogeneous cluster is explored. We analyze the energy landscapes of the studied…

In the spirit of the thin-layer quantization scheme, we give the effective Hamiltonian describing the noninteracting electrons confined to an annular corrugated surface, and find that the geometrically induced potential is considerably…

The recently proposed constructive approach to nonperturbative QFT, based on modular localization, is reviewed and extended. It allows to unify black holes physics and H-temperatures (H standing for Hawking or Horizon) with the…

Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…

In this paper, we investigate the localization properties of optical waves in disordered systems with multifractal scattering potentials. In particular, we apply the localization landscape theory to the classical Helmholtz operator and,…

Many-body localization (MBL) addresses the absence of thermalization in interacting quantum systems, with non-ergodic high-energy eigenstates behaving as ground states, only area-law entangled. However, computing highly excited many-body…

State-specific approximations can provide an accurate representation of challenging electronic excitations by enabling relaxation of the electron density. While state-specific wave functions are known to be local minima or saddle points of…

Using the atomistic tight-binding method in combination with symmetry analysis and extended effective mass theory we derive a phenomenological model for the fine structure of the ground electron and hole states in $[111]$-grown PbX, X=S,Se…

Urbach tails in semiconductors are often associated to effects of compositional disorder. The Urbach tail observed in InGaN alloy quantum wells of solar cells and LEDs by biased photocurrent spectroscopy is shown to be characteristic of the…

The localized operator partitioning method [Y. Khan and P. Brumer, J. Chem. Phys. 137, 194112 (2012)] rigorously defines the electronic energy on any subsystem within a molecule and gives a precise meaning to the subsystem ground and…

We measure electron localization in different materials by means of a ``localization tensor'', based on Berry phases and related quantities. We analyze its properties, and we actually compute such tensor from first principles for several…

We calculate electrostatic potential landscapes for an external probe charge in the presence of a set of metallic islands. Our numerical calculation in three dimensions (3D)uses an efficient grid relaxation technique. The well-known…

We present a response-augmented machine learning (ML) approach to the energetics of electrified metal surfaces. We leverage local descriptors to learn the work function as the first-order energy change to introduced bias charges and…