We discuss (1) the formulation and implmentation of finite-temperature ab initio many-body perturbation (MBPT) and coupled-cluster (CC) theories and their applications to metal-insulator (Peierls) and charge-density-wave (CDW) / spin-density-wave (SDW) transitions in one-dimensional solids and (2) finite-temperature, finite-pressure, embedded-fragment ab initio MBPT and CC calculations of thermal expansion and pressure-induced amorphization in ice Ih as well as of molecular dynamics of liquid water.

Finite-temperature ab initio many-body perturbation and coupled-cluster calculations of condensed matter

253rd National Meeting (2017)

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