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features [2024/02/21 14:57] tsauefeatures [2024/02/21 16:21] (current) aspg
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       * Contributors: Xiang Yuan,  Loic Halbert, Johann Pototschnig, Anastasios Papadopoulos, Lucas Visscher and Andre Gomes.       * Contributors: Xiang Yuan,  Loic Halbert, Johann Pototschnig, Anastasios Papadopoulos, Lucas Visscher and Andre Gomes.
       * Reference: Xiang Yuan, Loic Halbert, Johann Valentin Pototschnig, Anastasios Papadopoulos, Sonia Coriani, Lucas Visscher, and Andre Severo Pereira Gomes, Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures, J. Chem. Theory Comput. 20, 677 (2024) https://doi.org/10.1021/acs.jctc.3c00812       * Reference: Xiang Yuan, Loic Halbert, Johann Valentin Pototschnig, Anastasios Papadopoulos, Sonia Coriani, Lucas Visscher, and Andre Severo Pereira Gomes, Formulation and Implementation of Frequency-Dependent Linear Response Properties with Relativistic Coupled Cluster Theory for GPU-Accelerated Computer Architectures, J. Chem. Theory Comput. 20, 677 (2024) https://doi.org/10.1021/acs.jctc.3c00812
-      * Manual: CCCILR http://www.diracprogram.org/doc/release-24/manual/exacorr.html#cccilr+      * Manual: CCCILR https://diracprogram.org/doc/release-24/manual/wave_function/exacorr.html#cccilr
       * Tutorial: not yet available; please have a look at examples in the testset.       * Tutorial: not yet available; please have a look at examples in the testset.
     * Calculation of quadratic response properties CCSD wavefunctions.      * Calculation of quadratic response properties CCSD wavefunctions. 
       * Contributors: Xiang Yuan,  Loic Halbert, Lucas Visscher and Andre Gomes.       * Contributors: Xiang Yuan,  Loic Halbert, Lucas Visscher and Andre Gomes.
       * Reference: Xiang Yuan, Loic Halbert, Lucas Visscher, and Andre Severo Pereira Gomes, Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory, J. Chem. Theory Comput. 19, 9248 (2023) https://doi.org/10.1021/acs.jctc.3c01011       * Reference: Xiang Yuan, Loic Halbert, Lucas Visscher, and Andre Severo Pereira Gomes, Frequency-Dependent Quadratic Response Properties and Two-Photon Absorption from Relativistic Equation-of-Motion Coupled Cluster Theory, J. Chem. Theory Comput. 19, 9248 (2023) https://doi.org/10.1021/acs.jctc.3c01011
-      * Manual: CCCIQR http://www.diracprogram.org/doc/release-24/manual/exacorr.html#ccciqr+      * Manual: CCCIQR https://diracprogram.org/doc/release-24/manual/wave_function/exacorr.html#ccciqr
       * Tutorial: not yet available; please have a look at examples in the testset.             * Tutorial: not yet available; please have a look at examples in the testset.      
     * Calculation of energies with equation of motion coupled cluster for excitation (EOM-EE-CCSD), ionization  (EOM-IP-CCSD), and electron affinity (EOM-EA-CCSD) models.     * Calculation of energies with equation of motion coupled cluster for excitation (EOM-EE-CCSD), ionization  (EOM-IP-CCSD), and electron affinity (EOM-EA-CCSD) models.
       * Contributors: Xiang Yuan,  Loic Halbert, Lucas Visscher and Andre Gomes.       * Contributors: Xiang Yuan,  Loic Halbert, Lucas Visscher and Andre Gomes.
       * Reference: Xiang Yuan, PhD thesis (2024), https://doi.org/10.5463/thesis.505       * Reference: Xiang Yuan, PhD thesis (2024), https://doi.org/10.5463/thesis.505
-      * Manual: EXEOM http://www.diracprogram.org/doc/release-24/manual/exacorr.html#exeom (see also http://www.diracprogram.org/doc/release-24/manual/exacorr.html#id10)+      * Manual: EXEOM https://diracprogram.org/doc/release-24/manual/wave_function/exacorr.html#exeom  see also https://www.diracprogram.org/doc/release-24/manual/wave_function/exacorr.html#id10
       * Tutorial: not yet available; please have a look at examples in the testset.       * Tutorial: not yet available; please have a look at examples in the testset.
     * Two-body reduced density matrix for CCSD ground-state wavefunctions.     * Two-body reduced density matrix for CCSD ground-state wavefunctions.
       * Contributors: Loic Halbert, Andre Gomes       * Contributors: Loic Halbert, Andre Gomes
-      * Manual: GS2RDM http://www.diracprogram.org/doc/release-24/manual/exacorr.html#gsrdm)+      * Manual: GS2RDM https://diracprogram.org/doc/release-24/manual/wave_function/exacorr.html#gs2rdm
       * Tutorial: not yet available; please have a look at examples in the testset.       * Tutorial: not yet available; please have a look at examples in the testset.
              
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   * Restart from density matrices of CC for first-order properties.    * Restart from density matrices of CC for first-order properties. 
     * Contributors: Trond Saue, Andre Gomes     * Contributors: Trond Saue, Andre Gomes
-      * Manual: RDCCDENS http://www.diracprogram.org/doc/release-24/manual/properties.html#rdccdens+      * Manual: RDCCDM https://diracprogram.org/doc/release-24/manual/properties.html#rdccdm
   * Update of DIRAC schema which defines the information stored on CHECKPOINT.h5.   * Update of DIRAC schema which defines the information stored on CHECKPOINT.h5.
     * Essential symmetry information added.     * Essential symmetry information added.
features.txt · Last modified: 2024/02/21 16:21 by aspg

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