ALF is a new function derived from the ideal free energy in MDFT that quantifies local angular order of solvent molecules, providing complementary information to polarization and charge density.
Free-energy model for the inhomogeneous hard-sphere fluid mixture and density-functional theory of freezing.Physical Review Letters, 63(9):980–983
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The Angular Localization Function (ALF): a practical tool to measure solvent angular order with Molecular Density Functional Theory
ALF is a new function derived from the ideal free energy in MDFT that quantifies local angular order of solvent molecules, providing complementary information to polarization and charge density.
- Density Profiles and Direct Correlation Functions from Density Functional Theory in Binary Hard-Sphere Crystals: Substitutional Solid and Interstitial Solid Solution