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table_of_contents [2020/06/13 10:02] qianlitable_of_contents [2022/08/16 14:15] (current) – external edit 127.0.0.1
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-**For developers only:** [[develop:Information for developers]] 
- 
 ====== Table of Contents ====== ====== Table of Contents ======
  
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   - [[Running Molpro]]   - [[Running Molpro]]
   - [[Running Molpro on parallel computers]]   - [[Running Molpro on parallel computers]]
 +  - [[gmolpro graphical user interface]]
   - [[Definition of Molpro input language]]   - [[Definition of Molpro input language]]
   - [[General program structure]]   - [[General program structure]]
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   - [[The SCF program]]   - [[The SCF program]]
   - [[The density functional program]]   - [[The density functional program]]
 +  - [[Time-dependent density functional theory]]
   - [[Møller Plesset perturbation theory]]   - [[Møller Plesset perturbation theory]]
   - [[The closed shell CCSD program]]   - [[The closed shell CCSD program]]
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   - [[Intrinsic basis bonding analysis (IAO/IBO)]]   - [[Intrinsic basis bonding analysis (IAO/IBO)]]
   - [[Local correlation methods with pair natural orbitals (PNOs)]]   - [[Local correlation methods with pair natural orbitals (PNOs)]]
 +  - [[Multireference local correlation methods (PNO-CASPT2)]]
   - [[PAO-based local correlation treatments]]   - [[PAO-based local correlation treatments]]
   - [[Local methods for excited states]]   - [[Local methods for excited states]]
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   - [[Basis set extrapolation]]   - [[Basis set extrapolation]]
   - [[The COSMO model]]   - [[The COSMO model]]
-  - [[Diabatic orbitals]]+  - [[Calculate grids for visualization in gOpenMol]] 
 +  - [[Dump density or orbital values (CUBE)]]
   - [[Non adiabatic coupling matrix elements]]   - [[Non adiabatic coupling matrix elements]]
   - [[Quasi-diabatization]]   - [[Quasi-diabatization]]
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   - [[Post-processing of output and databases]]   - [[Post-processing of output and databases]]
   - [[Physical constants]]   - [[Physical constants]]
 +  - [[Processing and plotting for rovibrational line lists (DAT2GR)]]
  
   * [[Density functional descriptions]]   * [[Density functional descriptions]]
   * [[License information]]   * [[License information]]
 +  * [[Index]]