Solid State Quantum Chemistry: The Chemical Bond and Energy Bands in Tetrahedral Semiconductors and Electronic Structure and the Properties of Solids: The Physics of the Chemical Bond

Physics Today ◽  
1980 ◽  
Vol 33 (3) ◽  
pp. 77-82
Author(s):  
A. A. Levin ◽  
W. A. Harrison ◽  
James C. Phillips
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Quantum Chemistry ◽  
Chemical Bond ◽  
Energy Bands ◽  
Tetrahedral Semiconductors

The solid-state electronic structure and the nature of the chemical bond of the ternary Zintl-phase Li8MgSi6. A tight-binding analysis

1985 ◽  
Vol 95 (1) ◽  
pp. 17-35 ◽  
Author(s):  
Rafael Ramirez ◽  
Reinhard Nesper ◽  
Hans-Georg von Schnering ◽  
Michael C. Böhm
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Chemical Bond ◽  
Tight Binding ◽  
Zintl Phase ◽  
Binding Analysis

scholarly journals Solid State Quantum Chemistry with ΘΦ (ThetaPhi): Spin-Liquids, Superconductors and Magnetic Superstructures Made Computationally Available

2021 ◽  
Author(s):  
Andrei Tchougreeff ◽  
Evgeny Plekhanov ◽  
Richard Dronskowski
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Quantum Chemistry ◽  
Temperature Dependence ◽  
Electronic States ◽  
Spin Liquid ◽  
Spin Liquids

The available solid-state electronic-structure codes are devoid of hot topics of physics: incommensurate magnetic, superconducting and spin-liquid electronic states/phases. The temperature dependence of the solutions of electronic problem is not accessible either. These gaps are closed by the proposed ΘΦ (ThetaPhi) package.

scholarly journals Solid State Quantum Chemistry with ΘΦ (ThetaPhi): Spin-Liquids, Superconductors and Magnetic Superstructures Made Computationally Available

2021 ◽  
Author(s):  
Andrei Tchougreeff ◽  
Evgeny Plekhanov ◽  
Richard Dronskowski
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
Quantum Chemistry ◽  
Temperature Dependence ◽  
Electronic States ◽  
Spin Liquid ◽  
Spin Liquids

The available solid-state electronic-structure codes are devoid of hot topics of physics: incommensurate magnetic, superconducting and spin-liquid electronic states/phases. The temperature dependence of the solutions of electronic problem is not accessible either. These gaps are closed by the proposed ΘΦ (ThetaPhi) package.

Electronic structure and nature of the metal-ligand chemical bond of Be, Mg, and Zn β-diketonates by quantum chemistry methods

2020 ◽  
Vol 1204 ◽  
pp. 127540
Author(s):  
A.A. Komissarov ◽  
O.L. Shcheka ◽  
S.A. Tikhonov ◽  
V.V. Korochentsev ◽  
I.S. Samoilov ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Quantum Chemistry ◽  
Chemical Bond ◽  
Metal Ligand

ChemInform Abstract: Electronic Structure of Thiacyanine Dyes (I) in the Solid State

ChemInform ◽  
1989 ◽  
Vol 20 (35) ◽  
Author(s):  
T. B. TANG ◽  
H. YAMAMOTO ◽  
K. IMAEDA ◽  
H. INOKUCHI ◽  
K. SEKI ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State

First principles study on the electronic structure properties of Keggin polyoxometalates on Carbon substrates for solid-state devices

2017 ◽  
Vol 136 (2) ◽  
Author(s):  
Jesús Muñiz ◽  
Christian Celaya ◽  
Ana Mejía-Ozuna ◽  
Ana Karina Cuentas-Gallegos ◽  
L. M. Mejía-Mendoza ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Solid State ◽  
First Principles ◽  
First Principles Study ◽  
Solid State Devices ◽  
Carbon Substrates ◽  
Structure Properties
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