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- D K Pant, R D Coalson, M I Hernández, J Campos-Martínez
- Applied optics
- 1999

A recently introduced optimal control theory method for optical waveguide design is applied to Y-branch waveguides and Mach-Zehnder modulators. The method simultaneously optimizes many parameters in a chosen design scheme; computational effort scales mildly with the number of parameters considered. Significant improvement in guiding efficiency relative to… (More)

- José Campos-Martínez, Rob D Coalson
- Applied optics
- 2003

Properties of the wide-angle equation (WAEQ), a nonparaxial scalar wave equation used to propagate light through media characterized by inhomogeneous refractive-index profiles, are studied. In particular, it is shown that the WAEQ is not equivalent to the more complicated but more fundamental Helmholtz equation (HEQ) when the index of refraction profile… (More)

- Massimiliano Bartolomei, Estela Carmona-Novillo, +4 authors Koichi Yamashita
- The journal of physical chemistry letters
- 2014

Graphynes are novel two-dimensional carbon-based materials that have been proposed as molecular filters, especially for water purification technologies. We carry out first-principles electronic structure calculations at the MP2C level of theory to assess the interaction between water and graphyne, graphdiyne, and graphtriyne pores. The computed penetration… (More)

- Ángel S Sanz, José Campos-Martínez, Salvador Miret-Artés
- Journal of the Optical Society of America. A…
- 2012

We present a novel approach to study transmission through waveguides in terms of optical streamlines. This theoretical framework combines the computational performance of beam propagation methods with the possibility to monitor the passage of light through the guiding medium by means of these sampler paths. In this way, not only can the optical flow along… (More)

- Massimiliano Bartolomei, Ricardo Pérez de Tudela, +7 authors Fernando Pirani
- Physical chemistry chemical physics : PCCP
- 2017

Benchmark interaction energies between coronene, C24H12, and molecular hydrogen, H2, have been computed by means of high level electronic structure calculations. Binding energies, equilibrium distances and strengths of the long range attraction, evaluated for the basic configurations of the H2-C24H12 complex, indicate that the system is not too affected by… (More)

- Rocío Rodríguez-Cantano, Massimiliano Bartolomei, +7 authors José Bretón
- The Journal of chemical physics
- 2017

Clusters formed by the combination of rare gas (RG) atoms of He, Ne, Ar, and Kr on coronene have been investigated by means of a basin-hopping algorithm and path integral Monte Carlo calculations at T = 2 K. Energies and geometries have been obtained and the role played by the specific RG-RG and RG-coronene interactions on the final results is analysed in… (More)

- Ramón Hernández-Lamoneda, Massimiliano Bartolomei, Marta I Hernández, José Campos-Martínez, Fabrice Dayou
- The journal of physical chemistry. A
- 2005

Accurate intermolecular potentials for the lowest three multiplet states of O2-O2 dimer have been produced on the basis of ab initio calculations. The quintet potential was taken from previous highly correlated CCSD(T) calculations. In this work, we perform MRCI calculations, with large basis sets including bond functions, of the singlet and triplet states,… (More)

- Jesús Pérez-Ríos, José Campos-Martínez, Marta I Hernández
- The Journal of chemical physics
- 2011

The collision dynamics of (17)O(2)((3)Σ(g)(-)) + (17)O(2)((3)Σ(g)(-)) in the presence of a magnetic field is studied within the close-coupling formalism in the range between 10 nK and 50 mK. A recent global ab initio potential energy surface (PES) is employed and its effect on the dynamics is analyzed and compared with previous calculations where an… (More)

- Fabrice Dayou, Marta I Hernández, José Campos-Martínez, Ramón Hernández-Lamoneda
- The Journal of chemical physics
- 2005

The importance of vibrational-to-electronic (V-E) energy transfer mediated by spin-orbit coupling in the collisional removal of O2(X 3Sigmag-,upsilon>or=26) by O2 has been reported in a recent communication [F. Dayou, J. Campos-Martinez, M. I. Hernandez, and R. Hernandez-Lamoneda, J. Chem. Phys. 120, 10355 (2004)]. The present work provides details on the… (More)

- Massimiliano Bartolomei, Marta I Hernández, José Campos-Martínez, Estela Carmona-Novillo, Ramón Hernández-Lamoneda
- Physical chemistry chemical physics : PCCP
- 2008

Intermolecular potentials for the three lowest multiplet states (singlet, triplet and quintet) of the O2(3Sigma)-O2(3Sigma) dimer have been investigated in detail by means of high level ab initio calculations. The methods used include MRCI, ACPF, CASPT2, using different active spaces and basis sets. The results for the quintet state are compared with… (More)