Quantum Monte Carlo Calculations with Multi-Reference Trial Wave Functions

The following sections are included:

• Introduction

• Generation of CSFs for QMC calculations

• Selection of the dominant CSFs for the ground states of the atoms B to F

• Fixed-node PDMC calculations with different types of trial wave functions

• Computational details

• Comparison with previous QMC and other ab initio calculations

• Acknowledgment

• Appendix A. Coupling schemes for the CSFs used in QMC calculations

• Appendix B. The explicit construction of spin-free CSFs.

• References