5 papers
Quantum Expectation Identities for the Three-State Model of a Molecular Domain
Boris Maulén, Roberto C. Bochicchio
The electronic distribution of a molecular domain is examined in this study. A theoretical formulation of quantum molecular properties is presented using the Quantum Expectation Id…
Configurational density of states of finite classical systems
Sergio Davis, Boris Maulén
The configurational density of states (CDOS) encodes all the relevant thermodynamic information contained in the interaction potentials for statistical mechanical systems. However,…
A quantum expectation identity: Applications to statistical mechanics
Boris Maulén, Sergio Davis, Daniel Pons
In this article we derive a useful expectation identity using the language of quantum statistical mechanics, where density matrices represent the state of knowledge about the syste…
Quantum states of physical domains in molecular systems: A three-state model approach
Roberto Bochicchio, Boris Maulén
The physical regions (domains or basins) within the molecular structure are open systems that exchange charge between them and consequently house a fractional number of electrons (…
Lie algebraic solution of the Kratzer oscillator in diatomic molecules
Boris Maulén, José Mauricio González
The study of diatomic molecules plays a central role in the understanding of the chemical bond. For their simplicity, they serve as a model for the study of more complex molecular…