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Probabilities to find a chosen number of electrons in flexible domains of space are calculated for highly correlated wave functions. Quantum mechanics can produce higher probabilities for chemically relevant arrangements of electrons in…

Chemical Physics · Physics 2022-06-29 Anthony Scemama , Andreas Savin

The way atoms attach to each other defines the function(s), e.g., mechanical, optical, electronic, of a given material. The nature of the chemical bond is, therefore, one of the most fundamental issues in materials. Both ionic interactions,…

Materials Science · Physics 2019-07-10 Yevgeny Rakita , Thomas Kirchartz , Gary Hodes , David Cahen

We investigated the valence electronic structure of diamondoid particles in the gas phase, utilizing valence photoelectron spectroscopy. The samples were singly or doubly covalently bonded dimers or trimers of the lower diamondoids. Both…

The molecular dissociation energy has often been explained and discussed in terms of singlet bonds, formed by bounded pairs of valence electrons. In this work we use a highly correlated resonating valence bond ansatz, providing a consistent…

Chemical Physics · Physics 2020-09-28 Claudio Genovese , Sandro Sorella

Solid state physics deals with systems composed of atoms with strongly bound electrons. The tunneling probability of each electron is determined by interactions that typically extend to neighboring sites, as their corresponding wave…

Materials Science · Physics 2019-11-27 F. Ramírez-Ramírez , E. Flores-Olmedo , G. Báez , E. Sadurní , R. ~A. Méndez-Sánchez

The physical pictures of the electron pairing structure and pairing mechanisms in superconductors are reviewed. An initial idea for a new physical picture of the origin and nature of the pairing is proposed. The idea is based on the…

Superconductivity · Physics 2024-02-19 Zuhair M. Hejazi , Iskra B. Hejazi

Chemical bonding is a nonlocal phenomenon that binds atoms into molecules. Its ubiquitous presence in chemistry, however, stands in stark contrast to its ambiguous definition and the lack of a universal perspective for its understanding. In…

Quantum Physics · Physics 2025-01-28 Lexin Ding , Eduard Matito , Christian Schilling

Molecular orbital theory is powerful both as a conceptual tool for understanding chemical bonding, and as a theoretical framework for ab initio quantum chemistry. Despite its undoubted success, MO theory has well documented shortcomings,…

Chemical Physics · Physics 2024-02-15 Daniel Marti-Dafcik , Nicholas Lee , Hugh G. A. Burton , David P. Tew

Recent advances in condensed matter theory have revealed that new and exotic phases of matter can exist in spin models (or more precisely, local bosonic models) via a simple physical mechanism, known as "string-net condensation." These new…

Strongly Correlated Electrons · Physics 2009-11-10 Michael Levin , Xiao-Gang Wen

The shape of the electron is studied using lowest-order perturbation theory. Quantities used to probe the structure of the proton: form factors, generalized parton distributions, transverse densities, Wigner distributions and the angular…

High Energy Physics - Phenomenology · Physics 2014-12-10 Gerald A. Miller

Our curiosity-driven desire to "see" chemical bonds dates back at least one-hundred years, perhaps to antiquity. Sweeping improvements in the accuracy of measured and predicted electron charge densities, alongside our largely bondcentric…

Chemical Physics · Physics 2020-02-19 Timothy R. Wilson , Malavikha Rajivmoorthy , Jordan Goss , Sam Riddle , M. E. Eberhart

The precise nature of chemical-bonding interactions in amorphous, and crystalline, chalcogenides is still unclear due to the complexity arising from the delocalization of bonding, and non-bonding, electrons. Although an increasing degree of…

Materials Science · Physics 2020-05-28 T. H. Lee , S. R. Elliott

An historical overview is given of the relevant steps that allowed the genesis of the quantum theory of the chemical bond, starting from the appearance of the new quantum mechanics and following later developments till approximately 1931.…

History and Philosophy of Physics · Physics 2013-09-19 S. Esposito , A. Naddeo

Correlation among particles in finite quantum systems leads to complex behaviour and novel states of matter. One remarkable example is predicted to occur in a semiconductor quantum dot (QD) where at vanishing density the Coulomb correlation…

Open-shell non-rigid molecular systems exhibiting an internal rotation are likely candidates for a coupling between the spin angular momentum of the unpaired electron and the torsional motion. This electron spin-torsion coupling lacked both…

This review describes the physics of spins in quantum dots containing one or two electrons, from an experimentalist's viewpoint. Various methods for extracting spin properties from experiment are presented, restricted exclusively to…

Mesoscale and Nanoscale Physics · Physics 2011-11-09 R. Hanson , L. P. Kouwenhoven , J. R. Petta , S. Tarucha , L. M. K. Vandersypen

A linearly coupled chain of spin-polarized quantum dots is investigated under the condition that the number of electrons is equal to or less than the number of the dots. The chemical potential of the system, $\mu_{N}=E(N)-E(N-1)$,…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 Kicheon Kang , Min-Chul Cha , S. -R. Eric Yang

Infrared spectroscopy has emerged as a premier experimental technique to probe enigmatic effects arising from strong correlations in solids. Here we report on recent advances in this area focusing on common patterns in correlated electron…

Superconductivity · Physics 2009-11-11 S. V. Dordevic , D. N. Basov

This short review presents a few case studies of finite electron systems for which strong correlations play a dominant role. In simple metal clusters, the valence electrons determine stability and shape of the clusters. The ionic skeleton…

Strongly Correlated Electrons · Physics 2015-05-13 M. Manninen , S. M. Reimann

Conceiving a molecule as composed of smaller molecular fragments, or subunits, is one of the pillars of the chemical and physical sciences, and leads to productive methods in quantum chemistry. Using a fragmentation scheme, efficient…

Chemical Physics · Physics 2015-04-14 Martín A. Mosquera , Adam Wasserman