Space-time method for it ab initio calculations of self-energies and dielectric response functions of solids

R.W. Godby; H.N. Rojas; R.J. Needs

doi:10.1103/PhysRevLett.74.1827

Space-time method for it ab initio calculations of self-energies and dielectric response functions of solids

R.W. Godby, H.N. Rojas, R.J. Needs

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

We present a new method for efficient, accurate calculations of many-body properties of periodic systems. The main features are (i) use of a real-space/imaginary-time representation, (ii) avoidance of any model form for the screened interaction W, (iii) exact separation of W and the self-energy S into short- and long-ranged parts, and (iv) the use of novel analytical continuation techniques in the energy domain. The computer time scales approximately linearly with system size. We give results for jellium and silicon, including the spectral function of silicon obtained from the Dyson equation.

Original language	English
Pages (from-to)	1827-1830
Number of pages	3
Journal	Physical Review Letters
Volume	74
Issue number	10
DOIs	https://doi.org/10.1103/PhysRevLett.74.1827
Publication status	Published - 6 Mar 1995

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10.1103/PhysRevLett.74.1827

Cite this

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title = "Space-time method for it ab initio calculations of self-energies and dielectric response functions of solids",

abstract = "We present a new method for efficient, accurate calculations of many-body properties of periodic systems. The main features are (i) use of a real-space/imaginary-time representation, (ii) avoidance of any model form for the screened interaction W, (iii) exact separation of W and the self-energy S into short- and long-ranged parts, and (iv) the use of novel analytical continuation techniques in the energy domain. The computer time scales approximately linearly with system size. We give results for jellium and silicon, including the spectral function of silicon obtained from the Dyson equation.",

author = "R.W. Godby and H.N. Rojas and R.J. Needs",

note = "{\textcopyright} 1995 American Physical Society.",

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T1 - Space-time method for it ab initio calculations of self-energies and dielectric response functions of solids

AU - Godby, R.W.

AU - Rojas, H.N.

AU - Needs, R.J.

PY - 1995/3/6

Y1 - 1995/3/6

N2 - We present a new method for efficient, accurate calculations of many-body properties of periodic systems. The main features are (i) use of a real-space/imaginary-time representation, (ii) avoidance of any model form for the screened interaction W, (iii) exact separation of W and the self-energy S into short- and long-ranged parts, and (iv) the use of novel analytical continuation techniques in the energy domain. The computer time scales approximately linearly with system size. We give results for jellium and silicon, including the spectral function of silicon obtained from the Dyson equation.

AB - We present a new method for efficient, accurate calculations of many-body properties of periodic systems. The main features are (i) use of a real-space/imaginary-time representation, (ii) avoidance of any model form for the screened interaction W, (iii) exact separation of W and the self-energy S into short- and long-ranged parts, and (iv) the use of novel analytical continuation techniques in the energy domain. The computer time scales approximately linearly with system size. We give results for jellium and silicon, including the spectral function of silicon obtained from the Dyson equation.

U2 - 10.1103/PhysRevLett.74.1827

DO - 10.1103/PhysRevLett.74.1827

M3 - Article

SN - 0031-9007

VL - 74

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EP - 1830

JO - Physical Review Letters

JF - Physical Review Letters

IS - 10

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