2019-09-26 14:23:48 +02:00
|
|
|
---
|
|
|
|
|
title: "Welcome"
|
|
|
|
|
date: 2019-08-29 09:00
|
|
|
|
|
draft: false
|
|
|
|
|
---
|
2019-09-26 14:41:42 +02:00
|
|
|
Welcome to this webiste.
|
2019-09-26 14:23:48 +02:00
|
|
|
On this website you can watch reference data for excitations the base data are
|
|
|
|
|
|
|
|
|
|
- Absorptions \\(E_\text{Abs}\\).
|
|
|
|
|
- fluorescence \\(\Delta E_\text{Fluo}\\).
|
|
|
|
|
- ZPE delta \\(\Delta E_\text{ZPE}\\).
|
|
|
|
|
|
2019-09-26 14:40:27 +02:00
|
|
|
Other data are calculated with this quantities With the following equations :
|
|
|
|
|
|
|
|
|
|
<div>$$ E_\text{Adia} \simeq \frac{E_{Abs}+E_{Fluo}}{2}\ $$</div>
|
|
|
|
|
<div>$$ E_\text{0-0} \simeq E_\text{Adia}-E_\text{ZPE} $$</div>
|
2019-09-26 14:23:48 +02:00
|
|
|
|
2019-09-28 12:55:48 +02:00
|
|
|
{{< figure src="/images/figure-geom-1.png" title="Figure 1" caption="Representation of transition energies and energy differences" >}}
|
|
|
|
|
|
2019-09-26 14:23:48 +02:00
|
|
|
[Watch one dataset]({{< ref "onedataset.html" >}})
|
|
|
|
|
|
|
|
|
|
Useful links
|
|
|
|
|
|
|
|
|
|
- [Laboratoire de Chimie et Physique Quantique](http://www.lcpq.ups-tlse.fr/)
|
|
|
|
|
|
|
|
|
|
- [Quantum Package](https://quantumpackage.github.io/qp2/)
|
|
|
|
|
|
|
|
|
|
- [EMSL Basis set](https://www.basissetexchange.org/)
|
