I am looking for direct numerical algorithm of oscillator strength calculation in Casida TDDFT formalism. Can anyone help me to find the straightforward proof of oscillator strength formula as well as its numerical calculation procedure?
In Case of using progam "DALTON" for calculating the excitation energies, the program write oscillator strength for each case..
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I have to rear the R-strain for my research
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In Scopus, we can check the paper indexed in Scopus or nor? I do not know how to check the paper indexing in SCI and SCIE.
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Hi, I'm currently working on a project where I need to plot the atom-projected band structure using GPAW. I've been able to calculate the band structure for my material, but I'm having trouble...
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Hi all, my experimental XPS results shown that my C3N5 sample consists of N-H bond, hence in this case I should incorporate the N-H bond into my DFT modelling. However, I do notice several papers...
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Hello everyone, I'm encountering an issue with my electrochemical impedance spectroscopy (EIS) measurements and would appreciate some insights. Experimental Setup: Electrodes: Gold interdigitated...
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Following curve related to Co0.6Mn0.4Fe2O4 Magnetic nanoparticles with extra phase a-Fe2O3. I will appreciate to help me to interpretation this spectroscopy, especially the blue line.
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I would like to calculate the formation energy of P2-Na0.67Fe0.5Mn0.5O2 based on DFT, what should I do step by step. Any help would be appreciated. Thanks.
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