ORCA 6 Release Event
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- Info • Name
Description - Size
- Current Clicks
Clicks total
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- Exploring models for environmental effects
(From explicit solvation to electrostatic embedding of crystals)
Anneke Dittmer
FACCTs - 91 MiB
- 36 • 808
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- Next generation software for real-world chemistry simulation
"Next generation software for real-world chemistry simulation"
Christoph Riplinger
FACCTs - 85 MiB
- 29 • 859
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- not availible
- 6 • 252
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- New ORCA6 optimizers
(GOAT for conformational search
DOCKER for intermolecular interactions
and DeltaSCF for excited states)
Bernardo de Souza
FACCTs - not availible
- 13 • 440
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- Compound scripting language in ORCA
"Compound scripting language in ORCA"
Dimitrios G. Liakos
MPI für Kohlenforschung - not availible
- 3 • 161
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- "Welcome to ORCA 6.0" Frank Neese MPI für Kohlenforschung
Welcome to ORCA 6.0
Frank Neese
MPI für Kohlenforschung - not availible
- 24 • 694
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- Automated code generation in ORCA
"Automated code generation in ORCA"
(from ansatz to correlation gradients,
response properties and more)
Anastasios Papadopoulos and
Emily Kempfer
MPI für Kohlenforschung - not availible
- 1 • 162
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- The scalar relativistic X2C method in ORCA
"The scalar relativistic X2C method in ORCA"
Georgi L. Stoychev
FACCTs - not availible
- 0 • 116
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- Recent advances in single-reference, excited state methods for open-shell systems
"Recent advances in single-reference, excited state
methods for open-shell systems"
Marcos Casanova-Páez
MPI für Kohlenforschung - not availible
- 1 • 135
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- not availible
- 0 • 196
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- Spectroscopy in ORCA 6.0
"Spectroscopy in ORCA 6.0"
(A unified "theoretical optical spectrometer")
Dimitrios Manganas and
Nicolás Foglia
MPI für Kohlenforschung - not availible
- 14 • 488
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- Improving the efficiency of electrostatic embedding with the aid of the fast multipole method
"Improving the efficiency of electrostatic embedding with
the aid of the fast multipole method"
Pauline Colinet
MPI für Kohlenforschung - not availible
- 0 • 108
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- Magnetic properties with quasi-degenerate perturbation theory
"Magnetic properties with quasi-degenerate perturbation theory"
Petra Pikulová
MPI für Kohlenforschung - not availible
- 2 • 122
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- Energy decomposition and wavefunction analysis with ORCA
"Energy decomposition and wavefunction analysis with ORCA"
Giovanni Bistoni
University of Perugia - not availible
- 61 • 1378
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