Random-phase approximation and its applications in computational chemistry and materials science

The random-phase approximation (RPA) as an approach for computing the electronic correlation energy is reviewed. After a brief account of its basic concept and historical development, the paper is devoted to the theoretical formulations of RPA, and its applications to realistic systems. With several illustrating applications, we discuss the implications of RPA for computational chemistry and materials science. The computational cost of RPA is also addressed which is critical for its widespread use in future applications. In addition, current correction schemes going beyond RPA and directions of further development will be discussed.Comment: 25 pages, 11 figures, published online in J. Mater. Sci. (2012

Assessing subsidence rates and paleo water-depths for Tahiti reefs using U Th chronology of altered corals

We present uranium-thorium chronology for a 102 m core through a Pleistocene reef at Tahiti (French Polynesia) sampled during IODP Expedition 310 “Tahiti Sea Level”. We employ total and partial dissolution procedures on the older coral samples to investigate the diagenetic overprint of the uranium-thorium system. Although alteration of the U Th system cannot be robustly corrected, diagenetic trends in the U Th data, combined with sea level and subsidence constraints for the growth of the corals enables the age of critical samples to be constrained to marine isotope stage 9. We use the ages of the corals, together with δ18O based sea-level histories, to provide maximum constraints on possible paleo water-depths. These depth constraints are then compared to independent depth estimates based on algal and foraminiferal assemblages, microbioerosion patterns, and sedimentary facies, confirming the accuracy of these paleo water-depth estimates. We also use the fact that corals could not have grown above sea level to place a maximum constraint on the subsidence rate of Tahiti to be 0.39 mka-1, with the most likely rate being close to the existing minimum estimate of 0.25 mka-1