Max Graml
bfcb1ea1d6
BSE: update references ( #5515 )
2026-07-03 11:19:09 +02:00
Stepan Marek
391a3b0a11
RTBSE : Output readability ( #5014 )
...
Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de>
2026-03-27 10:56:55 +01:00
Ole Schütt
f66d47d961
Docs: Fix references in tddft.md ( #4899 )
2026-03-03 11:28:52 +01:00
Luis I Hernández Segura
223abcc058
Added more info for spinflip TDDFPT manual and updated citations ( #4883 )
2026-03-02 12:32:33 +01:00
Ole Schütt
4e03334606
precommit: Update Python packages and re-format
2026-02-24 17:11:52 +01:00
BelizSertcan
4672866f5b
Vibronic spectroscopy post-processing tools
2025-12-10 18:16:03 +01:00
Juerg Hutter
552e9fd4d1
Restricted Space Excitations for TDDFPT ( #4560 )
2025-11-27 10:36:19 +01:00
Stepan Marek
5ef3a49d68
RT-TDDFT+RT-BSE : Fourier Transform Outputs ( #4527 )
...
Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de>
2025-11-12 16:36:34 +01:00
Max Graml
b5558c7a53
BSE: update H2 example in manual
2025-10-13 13:41:03 +02:00
Stepan Marek
32401ac82c
RTBSE : Change of input structure
...
More than one FT is carried out in the code, so the global FT parameters were moved to the &RTBSE section in the input. Also, allowed for more than one element of polarizability to be printed out.
2025-03-05 22:48:23 +01:00
Stepan Marek
26096efc00
RTBSE - Code and Input structure
2025-01-31 11:21:43 +01:00
Max Graml
5b22e8b240
BSE: Minor changes for spectra
...
- add computation and printing of photoabsorption cross section
- improve handling of BSE calculations where PERIODIC XYZ is invoked
2024-12-17 10:53:13 +01:00
Max Graml
15f7139ffc
BSE: Add more options for setup of Casida equation
2024-12-06 11:52:36 +01:00
Max Graml
4dc10b3491
BSE: new features and update manual ( #3781 )
2024-11-20 16:34:36 +01:00
Stepan Marek
2e877d3805
RTBSE : Documentation update
...
Expanded on some concepts in the documentation and added snippets of example output.
Also harmonized the contents with the review paper which is in preparation.
2024-10-11 10:59:44 +02:00
Stepan Marek
8db65d5a85
Real time Bethe-Salpeter Propagation ( #3691 )
...
Co-authored-by: Štěpán Marek <stepan.marek@physik.uni-regensburg.de>
Co-authored-by: Stepan Marek <di75qec@login01.sng.lrz.de>
2024-09-25 15:50:42 +02:00
Jan Wilhelm
9e593d536b
Introduction on "Optical Spectroscopy"; clean comments in common/bibliography.F
2024-07-31 22:24:12 +02:00
Jan Wilhelm
1b6f62e97f
improve convergence of GW bandstructure calculation & improve manual
2024-07-30 10:21:02 +02:00
Ole Schütt
df1522a844
Docs: Switch links to cp2k-examples repository
2024-07-25 21:16:46 +02:00
Jan Wilhelm
0a07105a81
Docs: Update GW and GW+BSE howto
2024-07-25 16:35:45 +02:00
Ole Schütt
6c3f55cdf6
Docs: Some minor touch ups
2024-07-22 10:01:13 +02:00
Max Graml
aa4c4586da
Docs: Improve BSE methods section
2024-07-12 15:49:48 +02:00
Max Graml
05e7fda167
Add methods section for Bethe-Salpeter
2024-03-22 17:18:29 +01:00
Ole Schütt
0f47048474
Manual: Create folder for Optical Spectroscopy
2024-02-23 23:34:56 +01:00
