4.6 Article

Coupled-cluster method for the electronic structure and spectroscopic constants in halohydride cations with spin?orbit coupling

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

A hierarchy of local coupled cluster singles and doubles response methods for ionization potentials

Gero Waelz et al.

JOURNAL OF CHEMICAL PHYSICS (2016)

Article Physics, Multidisciplinary

Density functional theory: Its origins, rise to prominence, and future

R. O. Jones

REVIEWS OF MODERN PHYSICS (2015)

Article Chemistry, Physical

Equation-of-Motion Coupled-Cluster Theory for Excitation Energies of Closed-Shell Systems with Spin-Orbit Coupling

Zhifan Wang et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Review Physics, Multidisciplinary

Advances in relativistic molecular quantum mechanics

Wenjian Liu

PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2014)

Review Chemistry, Physical

DFT in a nutshell

Kieron Burke et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2013)

Article Chemistry, Physical

Performance of the EOMIP-CCSD(2) Method for Determining the Structure and Properties of Doublet Radicals: A Benchmark Investigation

Achintya Kumar Dutta et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Review Chemistry, Physical

Relativistic Effects in Chemistry: More Common Than You Thought

Pekka Pyykko

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)

Article Chemistry, Physical

Equation of motion coupled cluster method for electron attached states with spin-orbit coupling

Dong-Dong Yang et al.

CHEMICAL PHYSICS LETTERS (2012)

Review Chemistry, Multidisciplinary

Relativistic Pseudopotentials: Their Development and Scope of Applications

Michael Dolg et al.

CHEMICAL REVIEWS (2012)

Article Chemistry, Physical

Perspective: Relativistic effects

Jochen Autschbach

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Physical

Equation-of-motion coupled-cluster method for ionized states with spin-orbit coupling

Zheyan Tu et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Multidisciplinary

Coupled-cluster theory and its equation-of-motion extensions

Rodney J. Bartlett

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Multidisciplinary

Excited state coupled cluster methods

Kristian Sneskov et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Review Chemistry, Physical

Relativistic Hamiltonians for Chemistry: A Primer

Trond Saue

CHEMPHYSCHEM (2011)

Article Chemistry, Physical

The coupled-cluster revolution

Rodney J. Bartlett

MOLECULAR PHYSICS (2010)

Article Chemistry, Physical

Analytic energy gradients in closed-shell coupled-cluster theory with spin-orbit coupling

Fan Wang et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Review Chemistry, Physical

High-order electron-correlation methods with scalar relativistic and spin-orbit corrections

So Hirata et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Chemistry, Physical

On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions

Kirk A. Peterson et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2006)

Review Chemistry, Physical

Higher-order equation-of-motion coupled-cluster methods for ionization processes

Muneaki Kamiya et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Chemistry, Physical

3+1 Resonance enhanced multiphoton ionisation spectroscopy of HBr

D Ascenzi et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

What to see and what not to see in three-photon absorption: (3+1) REMPI of HBr

A Kvaran et al.

JOURNAL OF CHEMICAL PHYSICS (2000)

Article Chemistry, Physical

Photodissociation and photoionization of highly excited HI molecules

PM Regan et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2000)