Browsing by Author "Andrés, José Luís"
​ ​ ​ ​

Systematic study of the static electrical properties of the CO molecule: influence of the basis set size and correlation energy

A systematic and feasible method for computing nuclear contributions to electrical properties of polyatomic molecules

Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6

Finite field treatment of vibrational polarizabilities and hyperpolarizabilities: on the role of the Eckart conditions, their implementation, and their use in characterizing key vibrations

Anharmonicity contributions to the vibrational second hyperpolarizability of conjugated oligomers