TPA Relative Photon Polarizations

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)

Post Reply
hodnym
Posts: 1
Joined: 12 Dec 2018, 20:50
First name(s): Michael
Last name(s): Hodny
Affiliation: University of Minnesota
Country: United States

TPA Relative Photon Polarizations

Post by hodnym » 07 Apr 2020, 00:05

Hello, when calculating two photon cross sections, I get mostly what I need in terms of cross sections and energies. But, it yields a result for linear and circular polarizations. I have looked, but cannot find an answer on whether or not the linear polarization is where the two photons are parallel or perpendicularly polarized relative to each other. Below is my input file and a summarized output.

**DALTON INPUT
.PARALLEL
.RUN RESPONSE
**WAVE FUNCTIONS
.DFT
B3LYP
**RESPONSE
.MAXRM
500
*QUADRATIC
.TWO-PHOTON
.ROOTS
15 0 0 0
**END OF INPUT

+-----------------------------------+
| Two-photon absorption summary |
+-----------------------------------+
---------------------------------------------------------------------------------
Sym No Energy Polarization Df Dg D sigma R
---------------------------------------------------------------------------------
1 1 5.54 Linear 0.667E-14 0.642E-14 0.390E-13 0.879E-15 0.65
1 1 5.54 Circular 0.667E-14 0.642E-14 0.252E-13 0.568E-15 0.65

Thank you for your time.

kennethruud
Posts: 269
Joined: 27 Aug 2013, 16:42
First name(s): Kenneth
Last name(s): Ruud
Affiliation: UiT The Arctic University of Norway
Country: Norway

Re: TPA Relative Photon Polarizations

Post by kennethruud » 11 Apr 2020, 13:02

Hi!

The two photons given in the expression for the linear polarization are both parallel to each other.


Best regards,

Kenneth

Post Reply

Who is online

Users browsing this forum: No registered users and 7 guests