Chemical Reviews v.112 n.1 2012

ISSN 0009-2665

 

2012 QUANTUM CHEMISTRY 
EDITORIAL

Introduction to the Quantum Chemistry 2012 Issue

Pekka Pyykkö and John F. Stanton

pp 1–3

Publication Date (Web): January 11, 2012 (Editorial)

DOI: 10.1021/cr2004663

 

REVIEWS

Explicitly Correlated Electrons in Molecules

Christof Hättig, Wim Klopper, Andreas Köhn, and David P. Tew

pp 4–74

Publication Date (Web): December 29, 2011 (Review)

DOI: 10.1021/cr200168z

General Physical Chemistry

 

Explicitly Correlated R12/F12 Methods for Electronic Structure

Liguo Kong, Florian A. Bischoff, and Edward F. Valeev

pp 75–107

Publication Date (Web): December 16, 2011 (Review)

DOI: 10.1021/cr200204r

General Physical Chemistry

 

Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

Péter G. Szalay , Thomas Müller , Gergely Gidofalvi , Hans Lischka , Ron Shepard

pp 108–181

Publication Date (Web): December 28, 2011 (Review)

DOI: 10.1021/cr200137a

General Physical Chemistry

 

Multireference Nature of Chemistry: The Coupled-Cluster View

Dmitry I. Lyakh, Monika Musiał, Victor F. Lotrich, and Rodney J. Bartlett

pp 182–243

Publication Date (Web): December 28, 2011 (Review)

DOI: 10.1021/cr2001417

General Physical Chemistry

 

Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and Physics

David A. Mazziotti

pp 244–262

Publication Date (Web): August 25, 2011 (Review)

DOI: 10.1021/cr2000493

General Physical Chemistry

 

Quantum Monte Carlo and Related Approaches

Brian M. Austin, Dmitry Yu. Zubarev, and William A. Lester, Jr.

pp 263–288

Publication Date (Web): December 23, 2011 (Review)

DOI: 10.1021/cr2001564

General Physical Chemistry

 

Challenges for Density Functional Theory

Aron J. Cohen, Paula Mori-Sánchez, and Weitao Yang

pp 289–320

Publication Date (Web): December 22, 2011 (Review)

DOI: 10.1021/cr200107z

General Physical Chemistry

 

Constrained Density Functional Theory

Benjamin Kaduk, Tim Kowalczyk, and Troy Van Voorhis

pp 321–370

Publication Date (Web): November 11, 2011 (Review)

DOI: 10.1021/cr200148b

General Physical Chemistry

 

The Physics behind Chemistry and the Periodic Table

Pekka Pyykkö

pp 371–384

Publication Date (Web): July 21, 2011 (Review)

DOI: 10.1021/cr200042e

Nuclear Phenomena

 

The Douglas–Kroll–Hess Approach

Takahito Nakajima , Kimihiko Hirao

pp 385–402

Publication Date (Web): June 16, 2011 (Review)

DOI: 10.1021/cr200040s

General Physical Chemistry

 

Relativistic Pseudopotentials: Their Development and Scope of Applications

Michael Dolg and Xiaoyan Cao

pp 403–480

Publication Date (Web): September 13, 2011 (Review)

DOI: 10.1021/cr2001383

General Physical Chemistry

 

Nonadiabatic Quantum Chemistry—Past, Present, and Future

David R. Yarkony

pp 481–498

Publication Date (Web): November 3, 2011 (Review)

DOI: 10.1021/cr2001299

General Physical Chemistry

 

Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer Paradigm

Takehiro Yonehara, Kota Hanasaki, and Kazuo Takatsuka

pp 499–542

Publication Date (Web): November 11, 2011 (Review)

DOI: 10.1021/cr200096s

General Physical Chemistry

 

Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations

Trygve Helgaker, Sonia Coriani, Poul Jørgensen, Kasper Kristensen, Jeppe Olsen, and Kenneth Ruud

pp 543–631

Publication Date (Web): January 11, 2012 (Review)

DOI: 10.1021/cr2002239

General Physical Chemistry

 

Fragmentation Methods: A Route to Accurate Calculations on Large Systems

Mark S. Gordon, Dmitri G. Fedorov, Spencer R. Pruitt, and Lyudmila V. Slipchenko

pp 632–672

Publication Date (Web): August 26, 2011 (Review)

DOI: 10.1021/cr200093j

General Physical Chemistry