Interpolation of property-values between electron numbers is inconsistent with ensemble averaging

Fractional electron number, temperature, and perturbations in chemical reactions

(2016) Ramón Alain Miranda-Quintana et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Revisiting the definition of the electronic chemical potential, chemical hardness, and softness at finite temperatures

(2015) Marco Franco-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Local and linear chemical reactivity response functions at finite temperature in density functional theory

(2015) Marco Franco-Pérez et al.   JOURNAL OF CHEMICAL PHYSICS

Revisiting the chemical reactivity indices as the state function derivatives. The role of classical chemical hardness

(2015) Ali Malek et al.   JOURNAL OF CHEMICAL PHYSICS

On the non-integer number of particles in molecular system domains: treatment and description

(2015) Roberto C. Bochicchio   THEORETICAL CHEMISTRY ACCOUNTS

Communication: Reduced density matrices in molecular systems: Grand-canonical electron states

(2013) Roberto C. Bochicchio et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic Charges and the Electrostatic Potential Are Ill-Defined in Degenerate Ground States

(2013) Patrick Bultinck et al.   Journal of Chemical Theory and Computation

On the exponential model for energy with respect to number of electrons

(2012) Patricio Fuentealba et al.   JOURNAL OF MOLECULAR MODELING

Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method

(2012) Andrés Cedillo et al.   THEORETICAL CHEMISTRY ACCOUNTS

Reactivity indicators for degenerate states in the density-functional theoretic chemical reactivity theory

(2011) Carlos Cárdenas et al.   JOURNAL OF CHEMICAL PHYSICS

Local hardness equalization: Exploiting the ambiguity

(2008) Paul W. Ayers et al.   JOURNAL OF CHEMICAL PHYSICS

A New Scale of Electronegativity Based on Electrophilicity Index

(2008) Siamak Noorizadeh et al.   JOURNAL OF PHYSICAL CHEMISTRY A