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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 109, 2011 - Issue 21
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Editorial

Topical Review Introduction

Page 2471 | Published online: 10 Nov 2011

In this issue of Molecular Physics, we are pleased to present the latest article in our on-going series of Invited Topical Reviews. This paper is co-authored by A. Heßelmann and A. Gorling on the ‘Random-phase approximation correlation methods for molecules and solids’ Citation1. Other recent articles in the same series cover new developments in the quantum theory of reaction rates Citation2, single molecule surface-enhanced and tip-enhanced Raman spectroscopy Citation3, computer simulation methods for critical phenomena and phase changes Citation4, relativistic quantum chemistry Citation5, liquid water Citation6, gas phase spectroscopy of biomolecules Citation7, and ultra-cold chemistry Citation8.

Molecular Physics has a long tradition of publishing papers in all areas of electronic structure theory. The random phase approximation (RPA), the topic of Heßelmann and Gorling's review Citation1, is one present frontier of electronic structure theory. The RPA is an approach that goes beyond standard Kohn–Sham density functional theory (DFT) for treating electron correlations. Readers interested in reviews on other aspects of DFT have a tremendous variety of choices – let us just mention a good treatment of basic background issues Citation9, the modern challenge of the extension of DFT to include orbital-dependent functionals Citation10, and short, readable summary of key fundamental issues Citation11. Other recent articles in Molecular Physics that are related to the RPA concern connections to self-interaction errors Citation12, the construction of an ab initio DFT approach Citation13,Citation14, as well as previous work by Heßelmann and Gorling Citation15 themselves.

Additionally, readers with a focus on electronic structure theory may be interested in recent Special Issues of Molecular Physics specifically devoted to this area. In 2010 (Volume 108), one Special Issue covered the 50th Anniversary of the Quantum Theory Project (QTP) (numbers 21–23), including a historical article on the role of Slater in laying the groundwork for DFT Citation16, the articles already mentioned on ab initio DFT Citation13,Citation14, and many more historical and review articles. Separately, Molecular Physics published the proceedings of Molecular Quantum Mechanics 2010 (numbers 19 and 20) in honour of former Molecular Physics Editor Henry ‘Fritz’ Schaefer Citation17, and a Special Issue to celebrate the research achievements and the 60th birthday of present Molecular Physics Editor Joachim Werner Citation18 (issues 3 and 4). Each of these latter Special Issues contains large numbers of state of the art research papers in electronic structure theory.

Molecular Physics continues to encourage the submission of original research papers in all areas of electronic structure theory, as well as suggestions for future appropriate special issues in the field.

References

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