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Molcas Manual (version v25.06-3-gf86389f53)
5.2. Annexes
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5.2. Annexes¶

  • 5.2.1. Extra information about basis sets and integrals
    • 5.2.1.1. Basis set format
    • 5.2.1.2. The basis set label and the ECP libraries
    • 5.2.1.3. One-Electron Integral Labels
  • 5.2.2. Core and Embedding Potentials within the SEWARD Program
    • 5.2.2.1. SEWARD input for Effective Core Potential calculations
    • 5.2.2.2. SEWARD input for Embedded Cluster calculations

Table of Contents

  • 1. Introduction
  • 2. Installation Guide
  • 3. Short Guide to Molcas
  • 4. User’s Guide
  • 5. Advanced Examples and Annexes
    • 5.1. Examples
    • 5.2. Annexes
      • 5.2.1. Extra information about basis sets and integrals
      • 5.2.2. Core and Embedding Potentials within the SEWARD Program

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