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Publications Influence

Density-matrix electronic-structure method with linear system-size scaling.

- Li, Nunes, Vanderbilt
- Physics, Medicine
- Physical review. B, Condensed matter
- 15 April 1993

We introduce a method for the solution of the electronic-structure problem in the independent-electron approximation. The method is based upon a variational solution for the density matrix, which is… Expand

517 5

Generalization of the density-matrix method to a nonorthogonal basis.

- Nunes, Vanderbilt
- Physics, Medicine
- Physical review. B, Condensed matter
- 28 July 1994

We present a generalization of the Li, Nunes, and Vanderbilt density-matrix method to the case of a nonorthogonal set of basis functions. A representation of the real-space density matrix is chosen… Expand

115 2- PDF

Spectroscopic properties and upconversion mechanisms in Er3+-doped fluoroindate glasses.

- Catunda, Nunes, Flórez, Messaddeq, Aegerter
- Materials Science, Medicine
- Physical review. B, Condensed matter
- 1 March 1996

Fluorindate glasses containing 1,2,3,4 ${\mathrm{ErF}}_{3}$ mol % were prepared in a dry box under argon atmosphere. Absorption, Stokes luminescence (under visible and infrared excitation), the… Expand

88

Real-space approach to calculation of electric polarization and dielectric constants.

- Nunes, Vanderbilt
- Physics, Medicine
- Physical review letters
- 22 February 1994

We describe a real-space approach to the calculation of the properties of an insulating crystal in an applied electric field, based on the iterative determination of the Wannier functions (WF's) of… Expand

55- PDF

Fano-like resonant interference in Raman spectra of electronic and LO-vibronic excitations in periodically delta -doped GaAs.

The asymmetry in the one-phonon Raman lines of a Si:GaAs δ-doped doping superlattice is interpreted as a quantum-mechanical interference process in which an incident photon is inelastically scattered… Expand

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Structure, Barriers, and Relaxation Mechanisms of Kinks in the 90 degrees Partial Dislocation in Silicon.

- Nunes, Bennetto, Vanderbilt
- Materials Science, Medicine
- Physical review letters
- 24 April 1996

Kink defects in the 90-degree partial dislocation in silicon are studied using a linear-scaling density-matrix technique. The asymmetric core reconstruction plays a crucial role, generating at least… Expand

49- PDF

Transfer and/or breakup modes in the 6He+209Bi reaction near the coulomb barrier

- Aguiléra, Kolata, +14 authors White-Stevens
- Physics, Medicine
- Physical review letters
- 23 November 1999

Reaction products from the interaction of 6He with 209Bi have been measured at energies near the Coulomb barrier. A 4He group of remarkable intensity, which dominates the total reaction cross… Expand

104- PDF

Two-photon absorption spectroscopy of precipitated phases of Eu2+ in KCl single crystals.

Two-photon absorption (TPA) spectroscopy is used to study the aggregation kinetics of ${\mathrm{Eu}}^{2+}$ in KCl single crystals at two different annealing temperatures. The sharp… Expand

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