Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory

Huabing Yin; Yuchen Ma; Xiaotao Hao; Jinglin Mu; Chengbu Liu; Zhijun Yi

doi:10.1063/1.4880695

Quasiparticle electronic structure and optical absorption of diamond nanoparticles from ab initio many-body perturbation theory

The Journal of Chemical Physics ◽

10.1063/1.4880695 ◽

2014 ◽

Vol 140 (21) ◽

pp. 214315 ◽

Cited By ~ 5

Author(s):

Huabing Yin ◽

Yuchen Ma ◽

Xiaotao Hao ◽

Jinglin Mu ◽

Chengbu Liu ◽

...

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Optical Absorption ◽

Ab Initio ◽

Many Body ◽

Diamond Nanoparticles ◽

Many Body Perturbation Theory

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Practical Ab Initio Methods for Molecular Electronic Structure Studies. IV. Relativistic Many-Body Perturbation Theory

Problem Solving in Computational Molecular Science ◽

10.1007/978-94-009-0039-4_6 ◽

1997 ◽

pp. 185-213 ◽

Cited By ~ 12

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Ab Initio ◽

Ab Initio Methods ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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On the use of many-body perturbation theory and quantum-electrodynamics in molecular electronic structure theory

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(01)00477-8 ◽

2001 ◽

Vol 547 (1-3) ◽

pp. 279-291 ◽

Cited By ~ 12

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Quantum Electrodynamics ◽

Electronic Structure Theory ◽

Structure Theory ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Relativistic Many—Body Perturbation Theory of Atomic and Molecular Electronic Structure

The Effects of Relativity in Atoms, Molecules, and the Solid State ◽

10.1007/978-1-4615-3702-1_16 ◽

1991 ◽

pp. 217-251 ◽

Cited By ~ 2

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Ab Initio Many-Body Perturbation Theory Calculations of the Electronic and Optical Properties of Cyclometalated Ir(III) Complexes

Journal of Chemical Theory and Computation ◽

10.1021/acs.jctc.9b00763 ◽

2019 ◽

Vol 16 (2) ◽

pp. 1188-1199 ◽

Cited By ~ 3

Author(s):

Marco Cazzaniga ◽

Fausto Cargnoni ◽

Marta Penconi ◽

Alberto Bossi ◽

Davide Ceresoli

Keyword(s):

Optical Properties ◽

Perturbation Theory ◽

Ab Initio ◽

Many Body ◽

Electronic And Optical Properties ◽

Many Body Perturbation Theory

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Electronic Structure Calculations: The Many-Body Perturbation Theory (MBPT)

Introduction to Graphene-Based Nanomaterials ◽

10.1017/9781108664462.014 ◽

2020 ◽

pp. 373-378

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Electronic Structure Calculations ◽

Many Body ◽

Many Body Perturbation Theory ◽

The Many ◽

Structure Calculations

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Diagrammatic many-body perturbation theory of atomic and molecular electronic structure

Computer Physics Reports ◽

10.1016/0167-7977(85)90004-8 ◽

1985 ◽

Vol 2 (8) ◽

pp. 391-480 ◽

Cited By ~ 37

Author(s):

Stephen Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Molecular Electronic Structure

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Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction

Scientific Reports ◽

10.1038/srep14358 ◽

2015 ◽

Vol 5 (1) ◽

Cited By ~ 60

Author(s):

Soohaeng Yoo Willow ◽

Michael A. Salim ◽

Kwang S. Kim ◽

So Hirata

Keyword(s):

Molecular Dynamics ◽

Perturbation Theory ◽

Ab Initio ◽

Liquid Water ◽

Second Order ◽

Ab Initio Molecular Dynamics ◽

Many Body ◽

Property Prediction ◽

Many Body Perturbation Theory

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Many-body perturbation theory and its application to the molecular electronic structure problem

Chemical Modelling ◽

10.1039/9781847553324-00329 ◽

2007 ◽

pp. 329-390 ◽

Cited By ~ 2

Author(s):

S. Wilson

Keyword(s):

Perturbation Theory ◽

Electronic Structure ◽

Many Body ◽

Molecular Electronic ◽

Many Body Perturbation Theory ◽

Structure Problem ◽

Molecular Electronic Structure

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AB initio treatments of quasidegenerate many-body perturbation theory within the effective valence shell Hamiltonian formalism

The Journal of Physical Chemistry ◽

10.1021/j100209a004 ◽

1982 ◽

Vol 86 (12) ◽

pp. 2130-2133 ◽

Cited By ~ 17

Author(s):

Karl F. Freed ◽

Maurice G. Sheppard

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Hamiltonian Formalism ◽

Valence Shell ◽

Many Body ◽

Many Body Perturbation Theory ◽

Effective Valence

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Optoelectronic Properties of Halide Perovskites with ab Initio Many-body Perturbation Theory

10.29363/nanoge.nfm.2019.074 ◽

2019 ◽

Author(s):

Linn Leppert

Keyword(s):

Perturbation Theory ◽

Ab Initio ◽

Optoelectronic Properties ◽

Many Body ◽

Many Body Perturbation Theory ◽

Halide Perovskites

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