6. Optical Analysis

In the overview page is presented a general overview of the scientific quantities refer as ‘optical’. A quick description of the code input and functionement is also given.

The optical parameter page presents the different input available and there uses to deal with optical analysis.

In the electrostatic emmedding page is presented in details how the electrostatic environement is taken into account in .

The QM box page presents in details how the inside of the QM box is built.

The QM management page presents in details how the submission script are generated and how to deal with thousands of QM calculations. This page contains informations about the uses but also some general advices. As well as the advice for QM page which is a sort of Q&A sections.

• 6.1. Overview: Optical Analysis
  • 6.1.1. Scientific reminder:
  • 6.1.2. Available optical property:
  • 6.1.3. Overview for the inputs:
  • 6.1.4. Overview of the procedure:
• 6.2. Optical Parameter
  • 6.2.1. What can I do?
  • 6.2.2. Optical Property Calculation
  • 6.2.3. Which molecule should be QM-treated?
  • 6.2.4. Optical Parameter object:
• 6.3. Electrostatic embedding
  • 6.3.1. Formalism
  • 6.3.2. Select the emmebeding scheme:
  • 6.3.3. Feedback on the emmebding:
  • 6.3.4. Electrostatic Description object
• 6.4. QM box
  • 6.4.1. QMParameter Object
  • 6.4.2. QM Description Object
• 6.5. QM Management
  • 6.5.1. General Procedure
  • 6.5.2. Submision script
• 6.6. Some Advices for the QM