User Support
Calculation of magnetic shield of benzene in the first excited singlet state using CASSCF model
#109
· created
Aug 06, 2025
by
Tomar Bondu
1
updated
Aug 06, 2025
TPA Calculation Fails Due to Memory Issues – Need Guidance
#108
· created
Jul 16, 2025
by
Arjun J
updated
Jul 16, 2025
MC-srDFT mentioned in MCSCF run
#107
· created
Jul 15, 2025
by
Adam Matěj
updated
Jul 15, 2025
Dalton Input file
#106
· created
Jun 30, 2025
by
Florian Baeßler
1
updated
Jul 03, 2025
CASSCF(12,12) on S1 state, NMR calculations (.SHIELD) via Dalton Program
#105
· created
Jun 06, 2025
by
Alex Routsi
3
updated
Aug 06, 2025
Open shell calculation
#104
· created
Apr 24, 2025
by
Anindya Borah
updated
Apr 28, 2025
QR calculation with TDA/CIS
#103
· created
Apr 23, 2025
by
Pierre Beaujean
1
updated
Apr 29, 2025
Mismatch between the polarizability tensors calculated using an energy based scheme (Gaussian 16) and using dalton.
#102
· created
Apr 21, 2025
by
Anoop Ajaya Kumar Nair
updated
Apr 21, 2025
CCSD(T) geometry optimization with cartesian orbitals
#101
· created
Mar 13, 2025
by
lee-maximee
updated
Mar 13, 2025
Internal coordinates number
#100
· created
Dec 13, 2024
by
Gleb Turlakov
updated
Dec 13, 2024
Geometry optimization in the first excited state
#99
· created
Dec 10, 2024
by
NeXis04
3
updated
Dec 11, 2024
Auxiliary basis set
#96
· created
Nov 26, 2024
by
Gleb Turlakov
1
updated
Dec 05, 2024
Dalton 2.0
#94
· created
Nov 04, 2024
by
Francisco José Pastor Rodríguez
2
updated
Nov 12, 2024
Dalton prints twice the electron density to .cube files
#91
· created
Oct 07, 2024
by
Sergey Pushkarev
1
updated
Oct 08, 2024
CASSCF calculation using ghost atom
#85
· created
May 15, 2024
by
Meliodus Sama
updated
May 15, 2024
Where is the C6 dispersion coefficent printed?
#84
· created
May 02, 2024
by
szgoger
updated
May 02, 2024
Can I calculate imaginary frequency electric dipole-magnetic dipole polarizability?
#83
· created
Apr 15, 2024
by
szgoger
updated
Apr 15, 2024
2PDM from CCSD(T) calculation
#76
· created
Oct 24, 2023
by
Prasanta Bandyopadhyay
updated
Oct 24, 2023
