Towards ab initio Device Design: The Quasiparticle Self-Consistent GW Approximation

Mark Van Schilfgaarde; T. Kotani

doi:10.1109/IWCE.2009.5091159

Towards ab initio Device Design: The Quasiparticle Self-Consistent GW Approximation

Research output: Chapter in Book/Report/Conference proceeding › Conference paper

Abstract

Most materials properties of interest are governed by the behavior of the electrons. They directly participate in almost all electrical, magnetic and optical properties, and are responsible for the forces acting on nuclei, which affects structural and mechanical response. In this talk, I will briefly outline the present status of ab initio electronic structure theory, that is systematic methods to obtain effective one-body Hamiltonians which govern the electronic equations of motion, starting from first principles. I will present a newly developed quasiparticle self-consistent GW (QSGW) approximation, and show that it can generate very accurate one-body Hamiltonians, and is therefore a suitable engine for build device simulators from first principles.

Original language	English
Title of host publication	13th International Workshop on Computational Electronics, 2009
Publisher	IEEE
Pages	1-2
Number of pages	2
ISBN (Electronic)	978-1-4244-3927-0
ISBN (Print)	978-1-4244-3925-6
DOIs	https://doi.org/10.1109/IWCE.2009.5091159
Publication status	Published - May 2009
Event	Computational Electronics, 2009. IWCE '09. 13th International Workshop - , United Kingdom Duration: 27 May 2009 → 29 May 2009

Conference

Conference	Computational Electronics, 2009. IWCE '09. 13th International Workshop
Country/Territory	United Kingdom
Period	27/05/2009 → 29/05/2009

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10.1109/IWCE.2009.5091159

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@inbook{6f63b7ee28054b978fa2a50902f05971,

title = "Towards ab initio Device Design: The Quasiparticle Self-Consistent GW Approximation",

abstract = "Most materials properties of interest are governed by the behavior of the electrons. They directly participate in almost all electrical, magnetic and optical properties, and are responsible for the forces acting on nuclei, which affects structural and mechanical response. In this talk, I will briefly outline the present status of ab initio electronic structure theory, that is systematic methods to obtain effective one-body Hamiltonians which govern the electronic equations of motion, starting from first principles. I will present a newly developed quasiparticle self-consistent GW (QSGW) approximation, and show that it can generate very accurate one-body Hamiltonians, and is therefore a suitable engine for build device simulators from first principles.",

author = "{Van Schilfgaarde}, Mark and T. Kotani",

year = "2009",

month = may,

doi = "10.1109/IWCE.2009.5091159",

language = "English",

isbn = "978-1-4244-3925-6",

pages = "1--2",

booktitle = "13th International Workshop on Computational Electronics, 2009",

publisher = "IEEE",

note = "Computational Electronics, 2009. IWCE '09. 13th International Workshop ; Conference date: 27-05-2009 Through 29-05-2009",

}

TY - CHAP

T1 - Towards ab initio Device Design: The Quasiparticle Self-Consistent GW Approximation

AU - Van Schilfgaarde, Mark

AU - Kotani, T.

PY - 2009/5

Y1 - 2009/5

N2 - Most materials properties of interest are governed by the behavior of the electrons. They directly participate in almost all electrical, magnetic and optical properties, and are responsible for the forces acting on nuclei, which affects structural and mechanical response. In this talk, I will briefly outline the present status of ab initio electronic structure theory, that is systematic methods to obtain effective one-body Hamiltonians which govern the electronic equations of motion, starting from first principles. I will present a newly developed quasiparticle self-consistent GW (QSGW) approximation, and show that it can generate very accurate one-body Hamiltonians, and is therefore a suitable engine for build device simulators from first principles.

AB - Most materials properties of interest are governed by the behavior of the electrons. They directly participate in almost all electrical, magnetic and optical properties, and are responsible for the forces acting on nuclei, which affects structural and mechanical response. In this talk, I will briefly outline the present status of ab initio electronic structure theory, that is systematic methods to obtain effective one-body Hamiltonians which govern the electronic equations of motion, starting from first principles. I will present a newly developed quasiparticle self-consistent GW (QSGW) approximation, and show that it can generate very accurate one-body Hamiltonians, and is therefore a suitable engine for build device simulators from first principles.

U2 - 10.1109/IWCE.2009.5091159

DO - 10.1109/IWCE.2009.5091159

M3 - Conference paper

SN - 978-1-4244-3925-6

SP - 1

EP - 2

BT - 13th International Workshop on Computational Electronics, 2009

PB - IEEE

T2 - Computational Electronics, 2009. IWCE '09. 13th International Workshop

Y2 - 27 May 2009 through 29 May 2009

ER -

Towards ab initio Device Design: The Quasiparticle Self-Consistent GW Approximation

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