Hi all,
I wanted to calculate nonlinear optical property (second harmonic generation or 2 photon excitation energy) using gaussian or adf. But I don't know the command. Could you please help me in this regard?
Thanks in advance.
Find the attachment.
All the best
Dear Xavier Mariasusai, I didnt find the attachment. could you please resend it
Sorry for not seeing this question earlier (note that we do look at [email protected] every day, and you can always ask the ADF discussion list).
There are some examples on hyperpolarizability here:
https://www.scm.com/documentation/ADF/Examples/Hyperpol/
and more info in the manual https://www.scm.com/documentation/ADF/Input/Polarizabilities/
L1 and L2 regularization
28 February 2021 4,187 3 View
I want to publish paper in journal but I have figures which have drawn with bio-renders, can I put them in the paper or which other software I can use to draw them?
27 February 2021 8,179 1 View
For my research, I would like to simulate an end to end 5G network. My goal is to observe the behaviour of SDAP protocol, dynamic configuration of 5QI values etc. To summarize I would like to...
21 February 2021 7,624 3 View
Unlike graphene, it is usually very difficult to exfoliate few layers (~10 nm thick) of hBN on SiO2 substrate due to lip-lip interaction at the edges. Au substrates have been proven very useful...
16 February 2021 2,635 2 View
Power-to-heat (P2H) shows how we can use renewables for heating. Power-to-heat technologies have been on the market for quite some time now, with heat pumps being the most important. However, they...
10 February 2021 9,250 2 View
Support vector machine
09 February 2021 6,405 3 View
machine learning
09 February 2021 8,757 9 View
09 February 2021 5,156 3 View
During the resin (XAD-8) fractionation of wastewater salts (NaOH or HaCl) are used for acid or base elutions/pH adjustments. Since the amount of introduced salt is minimal, so is it required to...
08 February 2021 9,489 2 View
In Bangladesh, the proved reserved of natural gas 34 TCF which will lead the country next 20 years and currently 82% natural gas consumed in the power sector for power production. Whereas only 3%...
01 February 2021 251 12 View
Hello, I spin-cast two different polymers onto wafers and measure their height as a function of initial concentration. For polymer A, I have the weight-average molecular weight (Mw) as well as...
28 February 2021 7,882 2 View
I like to do project in laser measurement system. My objective is to eliminate or reduce the cosine error, abbe error in Laser measurement system. I have Rhenishaw XL80 system. Please tell the...
28 February 2021 4,890 3 View
Is there a way to input wave speed in a complex form on ANSYS? The wave speed I need to assign a material is 325(1+0.11i) however I have been unable to do this thus far. Failing that, is there...
27 February 2021 5,969 1 View
Hi everyone, Illumina provides a list of primers to amplify with high taxonomic coverage the ITS1 region for further fungal sequencing, but I cannot find the exact amount necessary of each...
25 February 2021 6,969 3 View
We are trying to run fiber photometry experiments for long time scales, but we get these sinusoidal artifacts that come up. We think they may be caused by twisting of the fiber optic subject...
25 February 2021 568 1 View
25 February 2021 1,987 3 View
Hello, I have used the shell function on SpaceClaim to create thin solids for the model I am studying. These are contained within an enclosure for my study. I chose this approach as it avoids the...
24 February 2021 8,856 3 View
I have an old slide microarray scanner (VIDAR Revolution 4200) and would like to give it a "second life", as IHC scanner array (fluorescence dyes), FISH over tissue or similar. Has anyone tried...
24 February 2021 9,210 1 View
My purpose is to recognize the volatility clustering property without statistical tests such as The Lagrange Multiplier (LM) test.
24 February 2021 4,150 3 View
Hi every one Is it possible to define biogas as a fuel in the reformer process(scwg) in Homer software? Biogas fuel is not available in the options thanks
23 February 2021 6,518 3 View