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21 (0,135s) •

Project

Development of the state-specific multireference Brillouin-Wigner couled cluster metody (GA203/99/D009)

(MR-CC) method formulated in terms of the Brillouin-Wigner perturbation theory today, the Brillouin-Wigner approach to the MR-CC method allows for a simplification the Brillouin-Wigner MR-CC meth...

CF - Fyzikální chemie a teoretická chemie

  • 1999 - 2002
    • •
  • 1 145 tis. Kč
    • •
  • 706 tis. Kč
    • •
  • GA ČR
Project

State specific multireference Brillouin-Wigner coupled cluster method with triexcitations (IAA4040401)

The aim of this project is to formulate and implement the state specific mulltireference Brillouin-Wigner coupled cluster method with triexcitations, in a form suitable for routine applications by an average user of quantum chemical...

CH - Jaderná a kvantová chemie, fotochemie

  • 2004 - 2007
    • •
  • 1 469 tis. Kč
    • •
  • 1 469 tis. Kč
    • •
  • AV ČR
Project

Development of perturbation methods for study of the correlation and diabatic effects in molecules and their computer coding (GA202/98/1028)

(Brillouin-Wigner Coupled Cluster) method, which expresses the correlation energy using the Brillouin-Wigner perturbation theory with exponential ansatz of the wave-function.In......

BE - Teoretická fyzika

  • 1998 - 2000
    • •
  • 305 tis. Kč
    • •
  • 305 tis. Kč
    • •
  • GA ČR
Project

Analytic gradient for the state-specific multireference Brillouin-Wigner coupled cluster method (GA203/04/0425)

The aim of this project is to formulate and implement analytic gradient for the state specificmultireference Brillouin-Wigner coupled cluster method with single and double excitations (MR BWCCSD), in a form suitable for routine appl...

CF - Fyzikální chemie a teoretická chemie

  • 2004 - 2006
    • •
  • 1 300 tis. Kč
    • •
  • 1 300 tis. Kč
    • •
  • GA ČR
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

Multireference Coupled Clusters (MR CC) Method, Its Development and Chemical Applications (IAA4040108)

(intruder states, CC divergence). Our approach is based on the state-specific Brillouin-Wigner perturbation theory, and as the calculations performed so far show, it is free......

CF - Fyzikální chemie a teoretická chemie

  • 2001 - 2003
    • •
  • 2 117 tis. Kč
    • •
  • 1 075 tis. Kč
    • •
  • AV ČR
Project

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

with the simpler Brillouin-Wigner MRCC approach, then approch the exactly size-extensive...

CF - Fyzikální chemie a teoretická chemie

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

Development of ab initio many-body quantum chemical methods for aplications to many-electron molecular systems (OC D9.10)

The objectives are to extend the limits of applicabilty of sophisticated ab initio many-body quantum chemical methods to more complex molecules, to larger molecules and with higher precision than has previously been posiible. It shall be concentrated...

CF - Fyzikální chemie a teoretická chemie

  • 1998 - 2002
    • •
  • 2 245 tis. Kč
    • •
  • 1 495 tis. Kč
    • •
  • MŠMT
Project

Wigner - Ville distribution and its application for transient signal analysis (GA102/94/1054)

9L - 9

  • 1994 - 1994
    • •
  • 0 tis. Kč
    • •
  • 0 tis. Kč
    • •
  • GA ČR
Project

Brillouin confocal microscopy as a tool for the in vivo analysis of biomechanical properties of plant cell walls (LTC19047)

The main goal of the project is to establish Brillouin confocal microscopy as a tool for the analysis of the root apical meristem in vivo. The obtained results will be compared with the outputs of analysis of the same cells using atomic forc...

Biochemistry and molecular biology

  • 2019 - 2021
    • •
  • 3 919 tis. Kč
    • •
  • 3 919 tis. Kč
    • •
  • MŠMT
  • 1 - 10 out of 21