Documentation Pages

Documentation organized by Theory → Code → Visual Guides for logical learning progression.

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THEORY & FUNDAMENTALS

Theoretical foundations and mathematical frameworks to understand LUMEN's physics.

Equilibrium Green's Functions

• YAMBO Theory Documentation — Foundational concepts and mathematical formulations
• Theory Code Examples — Practical code implementations of theory concepts

Real-Time & Non-Equilibrium Systems

• Real-Time TDDFT Theory — Time-dependent density functional theory fundamentals
• NEGF Theory Guide — Non-equilibrium Green's functions fundamentals
• Screening in RT Systems — Screening effects in real-time simulations
• Kadanoff-Baym Theory & Implementation — KBE derivation and code mapping

Exciton-Phonon Coupling

• Exciton-Phonon Theory — Complete theoretical framework for exciton-phonon interactions
• Phonon-Assisted Transitions — Theory of phonon-assisted optical processes
• Exciton Lifetimes — Non-radiative decay rates from phonon scattering

Quick References

• Formula Quick Reference — Essential equations at a glance
• NEGF Implementation Quick Reference — Quick summary of NEGF features

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IMPLEMENTATION & ARCHITECTURE

Code structure, algorithms, and implementation details for developers.

Exciton-Phonon Coupling

• Exciton-Phonon Implementation — Computational methods and algorithms for coupling calculation
• Matrix Element Computation — How gkkp matrix elements are calculated
• Optical Properties Calculation — Computing absorption and luminescence spectra
• Lifetime Calculations — Non-radiative decay rates from scattering

Real-Time Simulations

• RT NEGF Implementation Analysis — What features are actually implemented
• RT Screening Implementation — Screening algorithms in code
• Two-Time Green's Function Reconstruction — Advanced reconstruction techniques
• Two-Time Summary — Quick summary of two-time approach

System Architecture

• Code Flow & Architecture — Main entry points and control flow
• I/O System Architecture — File I/O and database organization
• I/O Quick Reference — I/O API and file formats

Memory & Allocation

• Memory Allocation System — Dynamic memory management design
• Allocation Architecture — Allocator internals and patterns
• Allocation Examples — Code examples for memory allocation
• Allocation Quick Reference — API quick guide

User Configuration

• Input Parameters Reference — All ~177 input flags documented

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VISUAL GUIDES & FLOWCHARTS

Diagrams, flowcharts, and visual learning materials.

Real-Time Dynamics

• Real-Time Propagation Visual Guide — Step-by-step RT algorithm visualization
• YPP Real-Time Flowcharts — Post-processing workflows and pipelines
• YPP Real-Time Documentation — Complete YPP RT module guide

Theory Visualization

• Theory Visual Guide — Diagrams and illustrations of key concepts

System Diagrams

• I/O System Flowchart — Visual I/O control flow

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Main Documentation

For comprehensive overview and getting started guide, see Yambo Documentation