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3 (0,078s)

Project

Parallel Implementation of Hilbert-space Multireference Coupled Cluster Methods and Application on Excited States (LH13117)

The aim of this project is to perform large-scale calculations on excited states of chemical and biological important molecules by the State-Universal coupled cluster (SU-MRCC) method and state-specific MRCC methods with Universal State-Selective (US...

CF - Fyzikální chemie a teoretická chemie

  • 2013 - 2015
  • 1 252 tis. Kč
  • 1 252 tis. Kč
  • MŠMT
Project

Explicitly correlated multireference coupled cluster methods (GAP208/11/2222)

Mukherjee MRCC variant,which has more complicated form of coupling terms. The resulting...

CF - Fyzikální chemie a teoretická chemie

  • 2011 - 2015
  • 8 425 tis. Kč
  • 8 425 tis. Kč
  • GA ČR
Project

Computer-aided implementation of multireference coupled cluster methods (GA203/07/0070)

, renormalization terms in the Jeziorski-Monkhorst or Mukherjee MRCC approaches when including...

CF - Fyzikální chemie a teoretická chemie

  • 2007 - 2010
  • 2 340 tis. Kč
  • 2 340 tis. Kč
  • GA ČR
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