4.7 Article

Importance of dynamical electron correlation in diabatic couplings of electron-exchange processes

Related references

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

MCSCF optimization revisited. II. Combined first- and second-order orbital optimization for large molecules

David A. Kreplin et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

The Molpro quantum chemistry package

Hans-Joachim Werner et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Rank-one basis made from matrix-product states for a low-rank approximation of molecular aggregates

Soichiro Nishio et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

Article Chemistry, Multidisciplinary

Coherent singlet fission activated by symmetry breaking

Kiyoshi Miyata et al.

NATURE CHEMISTRY (2017)

Article Chemistry, Physical

First-Principle Characterization for Singlet Fission Couplings

Chou-Hsun Yang et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)

Review Chemistry, Multidisciplinary

Theoretical Study of the π → π* Excited States of Oligoacenes: A Full π-Valence DMRG-CASPT2 Study

Yuki Kurashige et al.

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN (2014)

Article Chemistry, Physical

Communication: Active space decomposition with multiple sites: Density matrix renormalization group algorithm

Shane M. Parker et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Chemistry, Physical

Quasi-diabatic States from Active Space Decomposition

Shane M. Parker et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)

Article Chemistry, Physical

Model Hamiltonian Analysis of Singlet Fission from First Principles

Shane M. Parker et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2014)

Article Chemistry, Multidisciplinary

The Low-Lying Electronic States of Pentacene and Their Roles in Singlet Fission

Tao Zeng et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2014)

Article Chemistry, Multidisciplinary

A transferable model for singlet-fission kinetics

Shane R. Yost et al.

NATURE CHEMISTRY (2014)

Article Chemistry, Physical

Communication: Active-space decomposition for molecular dimers

Shane M. Parker et al.

JOURNAL OF CHEMICAL PHYSICS (2013)

Article Chemistry, Physical

Calculating Excited States of Molecular Aggregates by the Renormalized Excitonic Method

Yingjin Ma et al.

JOURNAL OF PHYSICAL CHEMISTRY A (2013)

Article Chemistry, Physical

A new fragment-based approach for calculating electronic excitation energies of large systems

Yingjin Ma et al.

JOURNAL OF CHEMICAL PHYSICS (2012)

Article Chemistry, Multidisciplinary

Implementation of Renormalized Excitonic Method at Ab Initio Level

Hongjiang Zhang et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)

Article Chemistry, Physical

Triplet vs Singlet Energy Transfer in Organic Semiconductors: The Tortoise and the Hare

Shane R. Yost et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2012)

Review Chemistry, Multidisciplinary

Molpro: a general-purpose quantum chemistry program package

Hans-Joachim Werner et al.

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2012)

Article Mathematics, Applied

THE BEST RANK-ONE APPROXIMATION RATIO OF A TENSOR SPACE

Liqun Qi

SIAM JOURNAL ON MATRIX ANALYSIS AND APPLICATIONS (2011)

Review Chemistry, Physical

The Diabatic Picture of Electron Transfer, Reaction Barriers, and Molecular Dynamics

Troy Van Voorhis et al.

ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)

Article Chemistry, Physical

The fragment spin difference scheme for triplet-triplet energy transfer coupling

Zhi-Qiang You et al.

JOURNAL OF CHEMICAL PHYSICS (2010)

Article Chemistry, Multidisciplinary

Electronic Coulombic Coupling of Excitation-Energy Transfer in Xanthorhodopsin

Kazuhiro J. Fujimoto et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2009)

Article Chemistry, Physical

Obtaining the two-body density matrix in the density matrix renormalization group method

Dominika Zgid et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Orbital optimization in the density matrix renormalization group, with applications to polyenes and ß-carotene

Debashree Ghosh et al.

JOURNAL OF CHEMICAL PHYSICS (2008)

Article Chemistry, Physical

Characterization of the short-range couplings in excitation energy transfer

Chao-Ping Hsu et al.

JOURNAL OF PHYSICAL CHEMISTRY C (2008)

Article Chemistry, Physical

Configuration interaction based on constrained density functional theory: A multireference method

Qin Wu et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Review Chemistry, Physical

The direct calculation of diabatic states based on configurational uniformity

H Nakamura et al.

JOURNAL OF CHEMICAL PHYSICS (2001)

Article Chemistry, Physical

Quantum chemistry using the density matrix renormalization group

AO Mitrushenkov et al.

JOURNAL OF CHEMICAL PHYSICS (2001)