Nexus User Guide

• Contents
• Using this document
• Overview of Nexus
  • What Nexus is
  • What Nexus can do
  • How Nexus is used
• Nexus Installation
• Complete Examples
  • Simple QMC Calculations
• Nexus User Reference
  • Reading what you wrote
  • Nexus settings: global state and user-specific information
• QMC Practice in a Nutshell
  • VMC and DMC in the abstract
  • From expectation values to random walks
  • Quality orbitals: planewaves, cutoffs, splines, and meshes
  • Quality Jastrows: less variance = more efficient
  • Finite size effects: k-points, supercells, and corrections
  • Imaginary time discretization: the DMC timestep
  • Population control bias: safety in numbers
  • The fixed node/phase approximation: varying the nodes/phase
  • Pseudopotentials: theoretical dissonance, the locality approximation, and T-moves
  • Other approximations: what else is missing?
• Recommended Reading
  • Helpful Links for Installing Python Modules
  • Helpful Links for Installing Electronic Structure Codes
  • Brushing Up On Python
  • Quantum Monte Carlo: Theory and Practice
• Index