QuantaOne

QuantaOne is a state-of-the-art interactive quantum chemistry and electronic structure simulation suite designed exclusively for macOS, iOS, and iPadOS. Built from the ground up in Swift with native Swift Charts and rigorous numerical solvers, QuantaOne bridges the gap between quantum mechanical theory and hands-on molecular computation. KEY FEATURES: - 27 Verified Computational Modules (K01–K27): * Foundations: 1D particle in a box, finite square wells, harmonic oscillators, tunneling and barrier transmission, Morse potential. * Atomic and Molecular Physics: Hydrogenic radial wavefunctions, orbital cross-sections, H2* LCAO molecular orbitals, Hückel conjugated systems, two-electron integrals. * Many-Body Electronic Structure: Roothaan-Hall RHF self-consistent field (SCF) calculations for H2, Moeller-Plesset perturbation theory (MP2), configuration interaction (CI), electron correlation, and density matrices. * Symmetry & Spectroscopy: C2v point group character tables, irreducible representations, vibrational normal modes, and symmetry-adapted linear combinations (SALCs). * Thermodynamics & Dynamics: Potential energy surface (PES) curvature, stationary states, reaction pathways, and harmonic zero-point vibrational energy (ZPVE). - Canvas-First Adaptive Architecture: * Widescreen Experience: 3-column scientific layout on displays >= 960pt with simultaneous sidebar navigation, canvas computation, and metric inspection. * Canvas-First Narrow Mode: Seamlessly adapts to iPad Split View and compact windows, keeping the live wavefunction graph and Hero KPI metrics prominently positioned above inputs. - Integrated 381-Page Theory Textbook & User Guide: * Complete English reference manual derived from classical treatises (Szabo-Ostlund, McQuarrie, Atkins). * Fast full-text search, live chapter bookmarks, and crystal-clear vector PDF rendering. * Manual reading is permanently free with no purchase required. - Multi-Format Scientific Export: * Export calculation results in JSON, CSV, PDF, Markdown, and LaTeX formats for research notes and publications. - Pure Privacy & StoreKit 2: * 100% offline computation without internet access, third-party libraries, or analytics. * 72-hour full-featured trial across all 27 modules. * One-time lifetime purchase with permanent updates and no subscriptions.