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19922026
Showing 2009 · cond-mat.mtrl-sciShow all

5 papers · 2 filters

cond-mat.mtrl-sci2009★ 53 cited

Accurate Hartree-Fock energy of extended systems using large Gaussian basis sets

Joachim Paier, Cristian V. Diaconu, Gustavo E. Scuseria +3

Calculating highly accurate thermochemical properties of condensed matter via wave function-based approaches (such as e.g. Hartree-Fock or hybrid functionals) has recently attracte…

cond-mat.mtrl-sci2009★ 94 cited

Strong correlations via constrained-pairing mean-field theory

Takashi Tsuchimochi, Gustavo E. Scuseria

We present a mean-field approach for accurately describing strong correlations via electron number fluctuations and pairings constrained to an active space. Electron number conserv…

cond-mat.mtrl-sci2009★ 264 cited

Carbon Nanotube Terahertz Polarizer

L. Ren, C. L. Pint, L. G. Booshehri +8

We describe a film of highly-aligned single-walled carbon nanotubes that acts as an excellent terahertz linear polarizer. There is virtually no attenuation (strong absorption) when…

cond-mat.mtrl-sci2009★ 172 cited

Long-range-corrected hybrids including RPA correlation

Benjamin G. Janesko, Thomas M. Henderson, Gustavo E. Scuseria

We recently demonstrated a connection between the random phase approximation (RPA) and coupled cluster theory [J. Chem. Phys. 129, 231101 (2008)]. Based on this result, we here pro…

cond-mat.mtrl-sci2009★ 37 cited

Existence of an upper limit on the density of excitons in carbon nanotubes by diffusion-limited exciton-exciton annihilation: Experiment and theory

Yoichi Murakami, Junichiro Kono

Through an investigation of photoemission properties of highly-photoexcited single-walled carbon nanotubes, we demonstrate that there is an upper limit on the achievable excitonic…