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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
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Dec 14th 2:51 pm
Edoapra
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How to view the optimized geometry from Nwchem geometry optimization?
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DL Lee
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Different basis sets on same atom types using ECPs?
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SCF convergence issue
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2394
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CDFT failed to optimize multipliers...
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2625
Sep 14th 6:19 am
Michael
Excited state geometry optimization in the presence of external charges
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1038
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Memory problem
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Calculating cartesian components of angular momentum for single MO?
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Constrained DFT in NWCHEM
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2898
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geometry optimization by CDFT+COSMO
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1491
Jul 29th 1:29 pm
Edoapra
cDFT convergencce issue
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Jul 29th 1:27 pm
Edoapra
Nature of energy obtained from BSSE calcuations.
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1198
Jul 26th 9:21 pm
Neo
Charge density of n-th excited state excited state in TDDFT framework.
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Jul 25th 7:11 am
Y.t.azar
How to specify the B(5%HF)P86 functional
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913
Jul 23rd 2:28 am
Dot matrix madness
DFT convergence issue
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1672
Jul 14th 1:25 am
Ph1130835
How to plot the excitation and emission spectra from output
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How to draw dimer charge transfer graph
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1033
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Kadalichaitanya
linear response TDDFT calculations
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3113
Jul 2nd 5:01 am
Ph1130835
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