Molcas
Manual (version v24.06-496-g9705c50be)
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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