We have examined the response of an exact and an MCSCF reference state to a general time‐dependent field. The time development of both the exact and the MCSCF reference state have been parametrized in terms of explicit exponential time‐dependent transformations. The time development has been determined by requiring the Ehrenfest theorem to be satisfied through each order in the interaction between the molecular system and the field. The response of the exact and the MCSCF reference state has been used to evaluate linear, quadratic, and cubic response functions. It has been shown how a large variety of molecular properties may be expressed in terms of these response functions. It has also been demonstrated that molecular properties containing the electric dipole operator may be expressed in equivalent forms involving the momentum operator both for the exact and the MCSCF state. The MCSCF response functions have been transformed to computationally attractive expressions which do not contain summation indices over intermediate states and which allow direct techniques to be straightforwardly applied.

/pdf/linear-and-nonlinear-response-functions-for-an-exact-state-3ho3nalr56.pdf

Linear and nonlinear response functions for an exact state and for an MCSCF state

http://www.paulchefurka.ca/Thermo%20Reading%20List/Martyushev&Seleznev%202006%3b%20MEPP%20in%20physics,%20chemistry%20and%20biology.pdf

Maximum entropy production principle in physics, chemistry and biology

https://escholarship.org/content/qt7511z1pj/qt7511z1pj.pdf?t=p0uvj3

Quantum theory of nonequilibrium processes, I

Graphene: New bridge between condensed matter physics and quantum electrodynamics

It has been recently demonstrated experimentally that graphene, or single-layer carbon, is a gapless semiconductor with massless Dirac energy spectrum. A finite conductivity per channel of order of e2/h in the limit of zero temperature and zero charge carrier density is one of the striking features of this system. Here we analyze this peculiarity based on the Kubo and Landauer formulas. The appearance of a finite conductivity without scattering is shown to be a characteristic property of Dirac chiral fermions in two dimensions.

/pdf/zitterbewegung-chirality-and-minimal-conductivity-in-350mwco8wj.pdf

Zitterbewegung, chirality, and minimal conductivity in graphene

1. Introduction 320 2. Double-time temperature-dependent Green functions 321 3. Spectral representations 324 4. Green functions in the theory of irreversible processes 326 5. Perfect quantum gases 328 6. Application to the theory of superconductivity 330 7. Application to the theory of ferromagnetism 336 8. Electron-lattice interaction 338 9.Conclusions 342

https://iopscience.iop.org/article/10.1070/PU1960v003n03ABEH003275/pdf

Double-time green functions in statistical physics

: This book examines the state of the art of nonequilibrium statistical thermodynamics from a single viewpoint. The book is intended for physicists and physical chemists working in the fields of theoretical physics, molecular physics, physical chemistry, and chemical physics.

D. N. Zubarev

Papers

Double-time green functions in statistical physics

Nonequilibrium Statistical Thermodynamics

Nonequilibrium statistical thermodynamics

Statistical mechanics of nonequilibrium processes

Extremal properties of the nonequilibrium statistical operator