How to Calculate Spin-Orbit (SOC) Matrix Elements using ORCA?

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In PRIMER, is it possible to downweight certain taxa in multivariate community datasets to reflect uncertainty around identification??

I have a dataset with about 80 different species. As usual, some species are very easy to identify with certainty whereas others are more difficult, which means that I am less certain of my...

03 March 2021 8,066 4 View

How to get onecolumn document from standard IEEE ACCESS LateX template?

I have prepared a manuscript in IEEE Latex template, but for some purpose, I need to prepare a word file as well (detailed format is not required). Compared to two column .tex file, one column...

02 March 2021 1,830 3 View

Gel electrophoresis result for total RNA samples, 1.5 Agarose gel was used, How to improve the integrity of RNA?

Gel electrophoresis, RNA degradation, RNA extraction from fresh tissue

02 March 2021 5,433 5 View

How to grow E.coli on the low salt LB agar plate with 50 or 100ug/ml of Blasticidin?

Hello, I would like to ask how to grow E.coli which resists 50 or 100ug/ml of Blasticidin. I have tried many methods by using low salt Luria-Bertain(LB) agar plate. However, no colonies grow. Let...

01 March 2021 2,027 2 View

OpenBCI eeg--has anyone used them?

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01 March 2021 4,128 3 View

How to remove DCU and HOBT from my reaction?

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28 February 2021 2,153 1 View

1 nm thick MgO thin-film to be deposited on Si wafer using thermal evaporation. What will be the optimum deposition conditions?

Favourable conditions of base pressure, rate of deposition. Also, by which characterisation technique to be used to verify the thickness of the deposited film.

28 February 2021 3,640 3 View

How to eliminate Steady state error from Reinforcement learning genetic algorithm code?

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28 February 2021 6,560 14 View

B-mercaptoethanol (BME) protocol?

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27 February 2021 5,028 2 View

What is the suitable range of Sulfur content and Viscosity of Heavy fluid Oil that used in Kiln?

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24 February 2021 8,219 2 View

Timeout error!! Processor in the loop (PIL) using STM32F4 Matlab 2018a?

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01 March 2021 2,327 1 View

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I am trying to find how to know the density needed for a pva electrospinning in a 0.6mm neddle, the electrospinning will be from top to bottom and the problem I really have is the solution because...

25 February 2021 2,615 3 View

How Can I clain a removal of a co-author?

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24 February 2021 3,476 4 View

How does the injection volume impact LLOQ and ULOQ in regression analysis (LC-MSMS)?

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23 February 2021 9,159 3 View

Difficulty in debugging code to correct error - TypeError: '<' not supported ?

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22 February 2021 5,254 1 View

How to perform Haldane correction on SPSS?

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21 February 2021 2,882 1 View

absorption= 1-mag(S(FP1:1,FP1:1)S(FP1:1,FP1:1))-mag(S(FP2:1,FP1:1)S(FP2:1,FP1:1)) is it correct for absorption ?

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17 February 2021 9,178 2 View

How can I calculate the magnetic force applied from a magnet (no electrism)?

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13 February 2021 4,770 3 View

What is the best way to do symmetry in ANSYS Fluent for flow between two concentric cylinders ?

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11 February 2021 2,193 6 View

What is the ideal value of UACI for image encryption scheme?

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11 February 2021 9,562 2 View

Sumit Naskar

Dear Gaurav,

If you're doing the TDDFT calculation on top your optimized geometry then yes you're fine.

Regarding the components you need to take root mean square value. The formula would be:

Value=√(x-component^2+y-component^2+z-component^2)

If you're considering lowest 5 singlet states then there will be 5 pair of triply degenerate excited triplets. In ORCA it's also calculate the coupling between ground state(S_0) to the excited triplets.

Best wishes,

Sumit

Gourav Das

Thank you Dr. Sumit Naskar for your valuable answer. It'll help me a lot.

Best regards,

Gourav