Скачать или смотреть Spectroscopy in ORCA 6 - ORCA 6 Release Event -11

ORCA 6 Release Event - 25.-26.07.2024

"Spectroscopy in ORCA 6.0: A Unified "Theoretical Optical Spectrometer""

Dimitrios Manganas & Nicolas Foglia, Max-Planck-Institut für Kohlenforschung

0:00 Introduction
3:16 Spectroscopy in ORCA 6
4:16 Electric Dipolar Approximation and Beyond
6:29 Natural Circular Dichroism
7:12 Transient Spectrum
7:34 Non-Hermitian Electronic Structure Methods
8:00 SOC and SSC Corrections
8:31 Non-resonant X-Ray Emission
10:54 Resonant X-Ray Emission RXES/RIXS
12:59 Excited State Dynamics
14:18 orca_mapspc Utility
16:00 orca_plot Utility

ORCA is free of charge for academic users who can download it from the website of the MPI für Kohlenforschung (https://orcaforum.kofo.mpg.de/app.php....

Commercial users can obtain a license from the company FACCTs that has the exclusive distribution rights to ORCA (https://www.faccts.de).

The ORCA manual is available online at FACCTs (https://www.faccts.de/docs/orca/6.0/m...) and at the MPI (https://orca-manual.mpi-muelheim.mpg.de).

Tutorials for ORCA can be found at https://www.faccts.de/docs/orca/6.0/t...