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Glossary

Terminology used in ALF and auxiliary-field quantum Monte Carlo.

TermDefinition
AFQMCAuxiliary-field quantum Monte Carlo — the family of methods ALF implements
AmplitudeWidth of the box distribution for proposing continuous auxiliary field updates (&VAR_QMC)
BetaInverse temperature β=1/T\beta = 1/T (&VAR_Model_Generic)
BinA block of NSweep Monte Carlo sweeps. Observables are averaged within each bin; error bars come from bin-to-bin fluctuations (Jackknife)
Bravais latticeA periodic lattice defined by primitive vectors and a unit cell. See [[Predefined Lattices]]
BulkTwist-angle implementation flag: .true. = vector potential in bulk, .false. = boundary condition (&VAR_Model_Generic)
Calc_FlBoolean array indicating which flavors require explicit Green function computation
ChannelString ('P', 'PH', 'PP', 'PH_C', 'P_PH', 'T0') selecting the analytic continuation kernel. See [[Analytic Continuation]]
CheckerboardDecomposition of the hopping matrix into commuting sub-blocks for efficient exponentiation (&VAR_Model_Generic)
confin / confoutConfiguration input/output files. confout_N saves the auxiliary field state for MPI rank N; renamed to confin_N for restarts
CPU_MAXWall-clock time limit in hours. ALF exits cleanly when this is reached (&VAR_QMC)
DtauImaginary-time discretization step Δτ\Delta\tau. Controls the Trotter error (&VAR_Model_Generic)
Green’s functionThe central quantity: Gij=cicjG_{ij} = \langle c_i c_j^\dagger \rangle. Updated incrementally and recomputed periodically for stability
HMCHybrid (Hamiltonian) Monte Carlo — a global update scheme using molecular dynamics trajectories. See [[HMC Parameters]]
Hubbard-StratonovichTransformation that decouples the interaction into auxiliary fields, enabling determinantal QMC
LangevinStochastic update scheme for continuous auxiliary fields. Cannot be combined with sequential updates
LOBS_ST / LOBS_ENStart and end time slices for measurements (&VAR_QMC)
LtauFlag: 1 = compute time-displaced correlations, 0 = equal-time only (&VAR_QMC)
LtrotTotal number of imaginary-time slices: Ltrot=nint(β/Δτ)+2ΘtrotL_\text{trot} = \text{nint}(\beta/\Delta\tau) + 2\Theta_\text{trot}
N_FLNumber of fermion flavors. Propagation is block-diagonal in flavor (&VAR_Model_Generic)
N_SUNNumber of colors in SU(N) symmetry. Propagation is color-independent (&VAR_Model_Generic)
NBinNumber of bins per simulation (&VAR_QMC)
NdimTotal number of orbitals: (unit cells) × (orbitals per cell)
NSweepNumber of MC sweeps per bin (&VAR_QMC)
NwrapNumber of time slices between QR stabilizations. See [[Stabilization Parameters]]
Op_THopping (kinetic) operators eTne^{T_n} — defined per Hamiltonian
Op_VInteraction operators eVn(τ)e^{V_n(\tau)} — coupled to auxiliary fields
Phi_X / Phi_YTwist angles in units of flux quanta (&VAR_Model_Generic)
ProjectorIf .true., use projective (zero-temperature) QMC instead of finite-temperature (&VAR_Model_Generic)
RUNNINGLock file created by ALF at startup, removed on clean exit. Prevents duplicate runs
SequentialLocal (single-field) update scheme — the default starting point. See [[Tuning and Best Practices]]
Sign problemWhen the fermion determinant weight becomes negative (or complex), sampling efficiency degrades exponentially with system size and inverse temperature
SweepOne pass through all auxiliary fields on all time slices
SymmSymmetric Trotter decomposition flag. When .true., the Green function is symmetrized before measurements (&VAR_Model_Generic)
TemperingParallel tempering — exchanges configurations between parameter sets to improve ergodicity. See [[Tempering]]
ThetaProjection parameter Θ\Theta for projective QMC; controls ground-state projection accuracy (&VAR_Model_Generic)
ThtrotProjection parameter in units of Δτ\Delta\tau: Θtrot=nint(Θ/Δτ)\Theta_\text{trot} = \text{nint}(\Theta/\Delta\tau)
Trotter errorSystematic error from the imaginary-time discretization, O(Δτ2)O(\Delta\tau^2) or O(Δτ)O(\Delta\tau) depending on the decomposition. See [[Discretization]]
UDVMatrix decomposition M=UDVM = U \cdot D \cdot V used for numerical stabilization of the Green’s function
WarmupInitial sweeps discarded to let the Markov chain equilibrate before measurements begin
WF_L / WF_RLeft and right trial wave functions for projective QMC