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Quantum EngineeringYear 1: Quantum Mechanics CoreMonth 18Day 493

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Year 1·Month 18·Week 3

Day 493: Variational Method for Helium

Day 493 of 2,016~17 min read

Learning Objectives

  • •**Apply** the variational principle to helium with a scaled wave function
  • •**Calculate** the energy functional $E(Z_{\text{eff}})$
  • •**Optimize** to find $Z_{\text{eff}} = 27/16 = 1.6875$
  • •**Interpret** $Z_{\text{eff}}$ in terms of screening
  • •**Compare** variational results with perturbation theory
  • •**Explore** improved trial functions for greater accuracy

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OverviewScheduleLearning Objectives1 The Variational PrincipleStatement of the PrincipleWhy It WorksApplication Strategy2 Trial Wave Function for HeliumPhysical MotivationThe Trial FunctionNormalization CheckWhat Z_texteff Represents3 Calculating the Energy FunctionalThe Full Helium HamiltonianStrategy Rewrite in Terms of Z_texteffComponent Expectation ValuesTotal Energy Functional4 OptimizationFinding the MinimumOptimal EnergyComparison5 Physical InterpretationThe Screening ConstantComparison with Perturbation TheoryWhy Variational is BetterElectron Density Change6 Better Trial FunctionsLimitations of Simple Z_texteff AnsatzHylleraas Trial Function 1929Extended HylleraasModern Results7 Worked ExamplesExample 1 Variational Energy for LiExample 2 Energy ComponentsExample 3 Verifying the Virial Theorem8 Practice ProblemsLevel 1 Direct ApplicationLevel 2 IntermediateLevel 3 Challenging9 Computational Lab Variational Optimization10 SummaryKey ConceptsKey Formulas11 Daily ChecklistConceptual UnderstandingMathematical SkillsComputational SkillsQuantum Computing Connection12 Preview Day 494References
Day 492Day 493 of 2,016Day 494