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Electronic structure
Known as:
Electronic structures
In quantum chemistry, ( Science ) , electronic structure is the state of motion of electrons in an electrostatic field created by stationary nuclei…
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Atomistix ToolKit
Circular dichroism
Density functional theory
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Highly Cited
2011
Highly Cited
2011
Influence of quantum confinement on the electronic structure of the transition metal sulfide T S 2
A. Kuc
,
N. Zibouche
,
T. Heine
2011
Corpus ID: 119112827
Bulk MoS${}_{2}$, a prototypical layered transition-metal dichalcogenide, is an indirect band gap semiconductor. Reducing its…
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Highly Cited
2009
Highly Cited
2009
Electronic structure of two-dimensional crystals from ab-initio theory
S. Lebègue
,
O. Eriksson
2009
Corpus ID: 118345585
We report on ab-initio calculations of the two-dimensional systems MoS2 and NbSe2, which recently were synthesized. We find that…
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Highly Cited
2007
Highly Cited
2007
Electronic structure of silicon-based nanostructures
G. G. Guzmán-Verri
2007
Corpus ID: 54532311
We have developed a unifying tight-binding Hamiltonian that can account for the electronic properties of recently proposed Si…
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Review
2005
Review
2005
Electronic structure calculations with dynamical mean-field theory
G. Kotliar
,
S. Savrasov
,
K. Haule
,
V. Oudovenko
,
O. Parcollet
,
C. Marianetti
2005
Corpus ID: 119099745
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in…
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Review
2004
Review
2004
Electronic Structure: Basic Theory and Practical Methods
Richard M. Martin
2004
Corpus ID: 261860760
Preface Acknowledgements Notation Part I. Overview and Background Topics: 1. Introduction 2. Overview 3. Theoretical background 4…
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Highly Cited
1999
Highly Cited
1999
Nobel Lecture: Electronic structure of matter-wave functions and density functionals
W. Kohn
1999
Corpus ID: 33553705
In the intervening more than six decades enormous progress has been made in finding approximate solutions of Schrodinger's wave…
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Highly Cited
1998
Highly Cited
1998
Electronic structure of atomically resolved carbon nanotubes
Jeroen W. G. Wilder
,
L. Venema
,
A. Rinzler
,
R. Smalley
,
C. Dekker
Nature
1998
Corpus ID: 205003208
Carbon nanotubes can be thought of as graphitic sheets with a hexagonal lattice that have been wrapped up into a seamless…
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Highly Cited
1998
Highly Cited
1998
Atomic structure and electronic properties of single-walled carbon nanotubes
T. Odom
,
Jinlin Huang
,
P. Kim
,
Charles M. Lieber
Nature
1998
Corpus ID: 205003214
Carbon nanotubes are predicted to be metallic or semiconducting depending on their diameter and the helicity of the arrangement…
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Highly Cited
1996
Highly Cited
1996
Density Functional Theory of Electronic Structure
W. Kohn
,
A. D. Becke
,
R. Parr
1996
Corpus ID: 17496118
Density functional theory (DFT) is a (in principle exact) theory of electronic structure, based on the electron density…
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Highly Cited
1993
Highly Cited
1993
General atomic and molecular electronic structure system
Michael W. Schmidt
,
K. Baldridge
,
+10 authors
J. Montgomery
Journal of Computational Chemistry
1993
Corpus ID: 3358041
A description of the ab initio quantum chemistry package GAMESS is presented. Chemical systems containing atoms through radon can…
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