Add to ORKGAuthor Institution:A large body of state-of-the-art software is currently being installed at the NRCC for doing accurate calculations of the electronic properties of atoms and molecules. The use of these programs for the calculation of various quantities of spectroscopic interest, such as absolute and relative term values, transition probabilities, potential energy curves, Franck-Condon factors, etc., will be discussed with special reference to atoms and small molecules
The demands of chemists for computational resources are well known and have been amply documented. T...
The requirement of huge computational resources makes quantum chemical investigations on large molec...
The observation of atomic spectra constitutes an important tool for diagnostics of astrophysical pl...
Author Institution:A large body of state-of-the-art software is currently being installed at the NRC...
Author Institution:Quantum Mechanical computations can often be used to obtain accurate spectroscopi...
Author Institution:Possible future directions for the NRCC in the acquisition, development, support,...
Theoretical molecular spectroscopy has been the subject of intense activity in the last decade as a ...
Recently the computer graphics systems and memory capabilities necessary to perform detailed chemica...
Source-deck listings of two computer programs are given for the calculation of relative intensities ...
This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computationa...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
SMFA is a general program package for performing quantum chemistry calculations on large molecules, ...
The principles behind several microcomputer programs that can be used to calculate a wide variety of...
Report describing procedures for making quantum mechanical calculations of rotational energy levels ...
Goal of this workshop was to provide an introduction to the use of state-of-the-art computer codes f...
The demands of chemists for computational resources are well known and have been amply documented. T...
The requirement of huge computational resources makes quantum chemical investigations on large molec...
The observation of atomic spectra constitutes an important tool for diagnostics of astrophysical pl...
Author Institution:A large body of state-of-the-art software is currently being installed at the NRC...
Author Institution:Quantum Mechanical computations can often be used to obtain accurate spectroscopi...
Author Institution:Possible future directions for the NRCC in the acquisition, development, support,...
Theoretical molecular spectroscopy has been the subject of intense activity in the last decade as a ...
Recently the computer graphics systems and memory capabilities necessary to perform detailed chemica...
Source-deck listings of two computer programs are given for the calculation of relative intensities ...
This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computationa...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
SMFA is a general program package for performing quantum chemistry calculations on large molecules, ...
The principles behind several microcomputer programs that can be used to calculate a wide variety of...
Report describing procedures for making quantum mechanical calculations of rotational energy levels ...
Goal of this workshop was to provide an introduction to the use of state-of-the-art computer codes f...
The demands of chemists for computational resources are well known and have been amply documented. T...
The requirement of huge computational resources makes quantum chemical investigations on large molec...
The observation of atomic spectra constitutes an important tool for diagnostics of astrophysical pl...