Comparison of optical absorption spectra of organic molecules and aggregates computed from real frequency dependent polarizability to TD-DFT and the dipole approximation

2018 ◽  
Vol 149 (4) ◽  
pp. 044114 ◽  
Author(s):  
Siong Tuan Ang ◽  
Amrita Pal ◽  
Sergei Manzhos
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Organic Molecules ◽  
Dipole Approximation ◽  
Optical Absorption Spectra ◽  
Frequency Dependent ◽  
Real Frequency ◽  
Td Dft

scholarly journals Fast optical absorption spectra calculations for periodic solid state systems

2020 ◽  
Vol 15 (1) ◽  
pp. 89-113
Author(s):  
Felix Henneke ◽  
Lin Lin ◽  
Christian Vorwerk ◽  
Claudia Draxl ◽  
Rupert Klein ◽  
...  
Keyword(s):  
Solid State ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Optical Absorption Spectra

NIR and Upconversion Luminescence Properties of Nd3+ Doped in Gd2O3-CaO-SiO2-B2O3 Glass System

2014 ◽  
Vol 548-549 ◽  
pp. 124-128 ◽  
Author(s):  
S. Insiripong ◽  
S. Kaewjeang ◽  
U. Maghanemi ◽  
H.J. Kim ◽  
N. Chanthima ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Optical Absorption ◽  
Absorption Spectra ◽  
Upconversion Luminescence ◽  
Emission Spectra ◽  
Concentration Quenching ◽  
Luminescence Spectra ◽  
Optical Absorption Spectra ◽  
Glass Matrices ◽  
Nir Luminescence

In this work, properties of Nd3+ in Gd2O3-CaO-SiO2-B2O3 glass systems with composition 25Gd2O3-10CaO-10SiO2-(55-x)B2O3-xNd2O3 where x = 0.0, 0.5, 1.0, 1.5, 2.0 and 2.5 mol% were investigated. The optical absorption spectra show peaks at 4F3/2 (877 nm) , 4F5/2+2H9/2 (802 nm), 4F7/2+4S3/2 (743 nm), 4F9/2 (682 nm), 2H11/2 (627 nm), 2G7/2 +4G5/2 (582 nm), 4G7/2 +2K13/2 (527 nm), 4G11/2 (481 nm), 2P1/2 (427 nm) and 2L15/2 + 4D1/2 + 1I11/2+ 4D5/2+ 4D3/2 (355 nm) reflecting the Nd3+ ions in glass matrices. The densities were increased with increasing of Nd2O3 concentration. This indicates the increase of the molecular weight by the replacement of B2O3 with a heavier Nd2O3 oxide in the glass. The upconversion luminescence spectra show bands at 393 nm for all Nd2O3 concentration and the strongest intensity from 2.5 % mol of Nd2O3 was obtained. For NIR luminescence, the intensity of Nd3+ emission spectra increases with increasing concentrations of Nd3+ up to 1.5 mol% and beyond 1.5 mol% the concentration quenching is observed.

OPTICAL ABSORPTION SPECTRA OF ARSENIC AND PHOSPHORUS IN SILICON

1962 ◽  
Vol 40 (10) ◽  
pp. 1480-1489 ◽  
Author(s):  
J. W. Bichard ◽  
J. C. Giles
Keyword(s):  
Optical Absorption ◽  
Absorption Spectra ◽  
Excited States ◽  
Ground State ◽  
Absorption Lines ◽  
Full Width ◽  
Optical Absorption Spectra ◽  
Phosphorus Impurity ◽  
Line Widths ◽  
Phosphorus In Silicon

The optical absorption spectra of arsenic and phosphorus donor impurities in silicon have been studied under conditions of improved resolution. Absorption lines due to transitions from the impurity ground state to the excited states 2p0, 2p±, 3p0, 3p±, 4p0, 4 p±, and 5p0, and 5p± have been observed at 4.2° K. The relative intensities of some of these absorption lines are compared with existing experimental and theoretical estimates. The contribution of instrumental broadening to the observed line widths is assessed and natural line widths are estimated. The estimates indicate values for the natural line widths which are much less than those previously reported. For phosphorus impurity, the natural line widths are estimated to be less than 0.08 × 10−3 electron volts full width at half-maximum. The possibility of concentration broadening is discussed in connection with the arsenic data.

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