Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method

Swapan K. Pati; S. Ramasesha; Z. Shuai; J. L. Brédas

Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method

Swapan K. Pati^*, S. Ramasesha, Z. Shuai, J. L. Brédas

^*Corresponding author for this work

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

56 Scopus citations

Abstract

We extend the symmetrized density-matrix renormalization-group method to compute the dynamic nonlinear optical coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace, we obtain the dynamic polarizabilities, ̧_ij(ω), and third-order polarizabilities γ_ijkl(ω,ω,ω,) of the Hubbard and "U-V" chains in an all transpolyacetylene geometry, with and without dimerization. We rationalize the behavior of ᾱ and γ̄ on the basis of the low-lying excitation gaps in the system.

Original language	English (US)
Pages (from-to)	14827-14830
Number of pages	4
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	59
Issue number	23
State	Published - 1999
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

Cite this

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title = "Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method",

abstract = "We extend the symmetrized density-matrix renormalization-group method to compute the dynamic nonlinear optical coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace, we obtain the dynamic polarizabilities,{\c }ij(ω), and third-order polarizabilities γijkl(ω,ω,ω,) of the Hubbard and {"}U-V{"} chains in an all transpolyacetylene geometry, with and without dimerization. We rationalize the behavior of ᾱ and {\=γ} on the basis of the low-lying excitation gaps in the system.",

author = "Pati, {Swapan K.} and S. Ramasesha and Z. Shuai and Br{\'e}das, {J. L.}",

year = "1999",

language = "English (US)",

volume = "59",

pages = "14827--14830",

journal = "Physical Review B",

issn = "0163-1829",

publisher = "American Physical Society",

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T1 - Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method

AU - Pati, Swapan K.

AU - Ramasesha, S.

AU - Shuai, Z.

AU - Brédas, J. L.

PY - 1999

Y1 - 1999

N2 - We extend the symmetrized density-matrix renormalization-group method to compute the dynamic nonlinear optical coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace, we obtain the dynamic polarizabilities, ̧ij(ω), and third-order polarizabilities γijkl(ω,ω,ω,) of the Hubbard and "U-V" chains in an all transpolyacetylene geometry, with and without dimerization. We rationalize the behavior of ᾱ and γ̄ on the basis of the low-lying excitation gaps in the system.

AB - We extend the symmetrized density-matrix renormalization-group method to compute the dynamic nonlinear optical coefficients for long chains. By computing correction vectors in the appropriate symmetry subspace, we obtain the dynamic polarizabilities, ̧ij(ω), and third-order polarizabilities γijkl(ω,ω,ω,) of the Hubbard and "U-V" chains in an all transpolyacetylene geometry, with and without dimerization. We rationalize the behavior of ᾱ and γ̄ on the basis of the low-lying excitation gaps in the system.

UR - http://www.scopus.com/inward/record.url?scp=0001445028&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0001445028

SN - 0163-1829

VL - 59

SP - 14827

EP - 14830

JO - Physical Review B

JF - Physical Review B

IS - 23

ER -

Dynamical nonlinear optical coefficients from the symmetrized density-matrix renormalization-group method

Abstract

ASJC Scopus subject areas

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