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..
Hi, I am having trouble with a problem, in the field of Optimal Control and the generation of optimal time-series. Let's consider a system, whose dynamics are represented by dx/dt =...
24 February 2021 9,105 2 View
In our discipline (chemistry), annual meetings of the American Chemical Society (ACS) used to be mega-events with up to 20,000 participants. The current one will be virtual, and the organizers...
06 January 2021 1,882 5 View
Despite certain disadvantages, peer-review is generally accepted as a quality control of manuscripts submitted to scientific journals. The higher the rank of the journal, the more often...
03 December 2020 3,235 17 View
Citations of research papers are the topic of various threads on this platform. Quite often researchers ask how to increase the number of citations. I did my first 30 years of chemical research in...
01 December 2020 6,173 94 View
LSTM has two hidden layers, I want to know the number of cells in each hidden layer.
30 November 2020 3,481 4 View
Chemistry is frequently termed the "central science". It underlies the foundation of modern civilization (drugs, plastics, textiles, dyes, fertilizers etc.), but the public perception of chemistry...
30 November 2020 1,113 15 View
Chemistry is frequently termed the "central science". As such, chemistry is expected to play a major role in fighting the coronavirus. For example, hand sanitizers and drugs are all based on...
30 November 2020 4,983 17 View
As dedicated researchers we all try to contribute to the advancement of our discipline. Often the work can be routine, but occasionally there are some real highlights. Can you please share your...
23 November 2020 4,150 20 View
Please provide your opinion on vertical farming. Is it the future of agriculture? If yes, where is it most promising (areas, countries cities etc.)?
17 November 2020 3,934 97 View
Most researchers have made individual experiences with publishing in peer-reviewed journals. What is your opinion about the peer-reviewing process in general? In your opinion, is it "censorship",...
28 October 2020 3,631 97 View
Beginner level books. High level books. Analytical Number Theory. Algebraic Number Theory. Combinatorical Number Theory. Books about partitions. Books about primes.
03 March 2021 7,174 5 View
Hello, I'm fairly new to ARENA and I have the following problem: I have two queues in which, in each queue, a different order type arrives (both having an arrival rate of exponential 10). Order...
02 March 2021 2,431 3 View
Is There Any Feasible Method To Test The Efficiency Of Fluorescent Compounds Other Than UV Spectrometers ? Suggestions Would Be Appreciated !
02 March 2021 5,785 3 View
I think we were all surprised at the first time we got to know quantum mechanics that the squared modulus of the wave function is the probability density of the existence of the particle? The role...
28 February 2021 6,282 9 View
28 February 2021 5,433 3 View
I am simulating helix antenna in hfss, right now, giving excitation with 50 ohms port. When I see the results of Z parameter (real). It shows lower than 50 ohms. Do not understand, if it can be...
27 February 2021 4,218 7 View
It is said that fixed point theory has lot of applications not in the field of mathematics only but also in various areas. So I am looking for applications in Chemistry only..
26 February 2021 3,533 1 View
I am currently doing research on the adsorption of heavy metal using magnetic reduce graphene oxide. I use AAS to determine the concentration of the heavy metal. I prepare the Pb solution with...
26 February 2021 9,580 4 View
Dear All, We are using Autodesk cfd to calculate the air flow in a single sided naturally ventilated room, where air flow depends only on buoyancy due to temperature difference between inside and...
25 February 2021 9,602 4 View