Related references
Note: Only part of the references are listed.Singlet-paired coupled cluster theory for open shells
John A. Gomez et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Analysis of two-orbital correlations in wave functions restricted to electron-pair states
Katharina Boguslawski et al.
PHYSICAL REVIEW B (2016)
Pair extended coupled cluster doubles
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Approximating electronically excited states with equation-of-motion linear coupled-cluster theory
Jason N. Byrd et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Spin-orbit couplings within the equation-of-motion coupled-cluster framework: Theory, implementation, and benchmark calculations
Evgeny Epifanovsky et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Actinide chemistry using singlet-paired coupled cluster and its combinations with density functionals
Alejandro J. Garza et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Orbital Energies for Seniority-Zero Wave Functions
Peter A. Limacher
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Linearized Coupled Cluster Correction on the Antisymmetric Product of 1-Reference Orbital Geminals
Katharina Boguslawski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Excited-State Geometry Optimization with the Density Matrix Renormalization Group, as Applied to Polyenes
Weifeng Hu et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2015)
Singlet ground state actinide chemistry with geminals
Pawel Tecmer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Seniority-based coupled cluster theory
Thomas M. Henderson et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Projected seniority-two orbital optimization of the antisymmetric product of one-reference orbital geminal
Katharina Boguslawski et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Seniority zero pair coupled cluster doubles theory
Tamar Stein et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Nonvariational Orbital Optimization Techniques for the AP1roG Wave Function
Katharina Boguslawski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2014)
Assessing the Accuracy of New Geminal-Based Approaches
Pawel Tecmer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2014)
The influence of orbital rotation on the energy of closed-shell wavefunctions
Peter A. Limacher et al.
MOLECULAR PHYSICS (2014)
Simple and inexpensive perturbative correction schemes for antisymmetric products of nonorthogonal geminals
Peter A. Limacher et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2014)
Efficient description of strongly correlated electrons with mean-field cost
Katharina Boguslawski et al.
PHYSICAL REVIEW B (2014)
Quasiparticle coupled cluster theory for pairing interactions
Thomas M. Henderson et al.
PHYSICAL REVIEW C (2014)
Reliable modeling of the electronic spectra of realistic uranium complexes
Pawel Tecmer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Doubly electron-attached and doubly ionized equation-of-motion coupled-cluster methods with 4-particle-2-hole and 4-hole-2-particle excitations and their active-space extensions
Jun Shen et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
A New Mean-Field Method Suitable for Strongly Correlated Electrons: Computationally Facile Antisymmetric Products of Nonorthogonal Geminals
Peter A. Limacher et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)
Multireference Nature of Chemistry: The Coupled-Cluster View
Dmitry I. Lyakh et al.
CHEMICAL REVIEWS (2012)
The electronic spectrum of CUONg4 (Ng = Ne, Ar, Kr, Xe): New insights in the interaction of the CUO molecule with noble gas matrices
Pawel Tecmer et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multireference Fock space coupled cluster method in the effective and intermediate Hamiltonian formulation for the (2,0) sector
Monika Musial
JOURNAL OF CHEMICAL PHYSICS (2012)
Merging Active-Space and Renormalized Coupled-Cluster Methods via the CC(P;Q) Formalism, with Benchmark Calculations for Singlet-Triplet Gaps in Biradical Systems
Jun Shen et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2012)
Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4]2-): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?
Pawel Tecmer et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2012)
Entanglement Measures for Single- and Multireference Correlation Effects
Katharina Boguslawski et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2012)
A Perspective on the CASPT2 Method
Peter Pulay
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2011)
Excited-State Studies of Polyacenes: A Comparative Picture Using EOMCCSD, CR-EOMCCSD(T), Range-Separated (LR/RT)-TDDFT, TD-PM3, and TD-ZINDO
K. Lopata et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Role of Many-Body Effects in Describing Low-Lying Excited States of π-Conjugated Chromophores: High-Level Equation-of-Motion Coupled-Cluster Studies of Fused Porphyrin Systems
K. Kowalski et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)
Electronic spectroscopy of UO22+, NUO+ and NUN: an evaluation of time-dependent density functional theory for actinides
Pawel Tecmer et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2011)
NWChem: scalable parallel computational chemistry
H. J. J. van Dam et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2011)
A diagnostic for determining the quality of single-reference electron correlation methods
Timothy J. Lee et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2010)
Active-space completely-renormalized equation-of-motion coupled-cluster formalism: Excited-state studies of green fluorescent protein, free-base porphyrin, and oligoporphyrin dimer
Karol Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Active-space coupled-cluster methods
Piotr Piecuch
MOLECULAR PHYSICS (2010)
Coupled-cluster corrected MR-CISD method with noniterative evaluation of connected triples
Leszek Meissner
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2008)
The restricted active space followed by second-order perturbation theory method:: Theory and application to the study of CuO2 and Cu2O2 systems
Per Ake Malmqvist et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Energies of Low-Lying Excited States of Linear Polyenes
Ronald L. Christensen et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2008)
Theoretical investigation of the energies and geometries of photoexcited uranyl(VI) ion:: A comparison between wave-function theory and density functional theory
Florent Real et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Electronic structure and bonding in actinyl ions and their analogs
Robert G. Denning
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Coupled-cluster theory in quantum chemistry
Rodney J. Bartlett et al.
REVIEWS OF MODERN PHYSICS (2007)
How much double excitation character do the lowest excited states of linear polyenes have?
Jan Hendrik Starcke et al.
CHEMICAL PHYSICS (2006)
Spin-flip equation-of-motion coupled-cluster electronic structure method for a description of excited states, bond breaking, diradicals, and triradicals
AI Krylov
ACCOUNTS OF CHEMICAL RESEARCH (2006)
Automated derivation and parallel computer implementation of renormalized and active-space coupled-cluster methods
P Piecuch et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2006)
Electronic structure and spectrum of UO2+2 and UO2Cl2-4 -: art. no. 204309
K Pierloot et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Single-reference ab initio methods for the calculation of excited states of large molecules
A Dreuw et al.
CHEMICAL REVIEWS (2005)
Quantum chemistry of the excited state:: 2005 overview
L Serrano-Andrés et al.
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM (2005)
Active-space coupled-cluster study of electronic states of Be3 -: art. no. 074319
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Extension of renormalized coupled-cluster methods including triple excitations to excited electronic states of open-shell molecules
M Wloch et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
The π → π* excited states of long linear polyenes studied by the CASCI-MRMP method
Y Kurashige et al.
CHEMICAL PHYSICS LETTERS (2004)
Equation-of-motion spin-flip coupled-cluster model with single and double substitutions: Theory and application to cyclobutadiene
SV Levchenko et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Optimized slater-type basis sets for the elements 1-118
E Van Lenthe et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2003)
Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
P Piecuch et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2002)
Extension of the method of moments of coupled-cluster equations to excited states: The triples and quadruples corrections to the equation-of-motion coupled-cluster singles and doubles energies
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
A comparison of the electronic transition energies for ethene, isobutene, formaldehyde, and acetone calculated using RPA, TDDFT, and EOM-CCSD. Effect of basis sets
KB Wiberg et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2002)
Formulation and implementation of the relativistic Fock-space coupled cluster method for molecules
L Visscher et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Intermediate Hamiltonian Fock-space coupled cluster method in the one-hole one-particle sector: Excitation energies of xenon and radon
A Landau et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Chemistry with ADF
G te Velde et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2001)
The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Introduction of n-electron valence states for multireference perturbation theory
C Angeli et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Excitation energies from time-dependent density functional theory for linear polyene oligomers: Butadiene to decapentaene
CP Hsu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2001)
The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach
K Kowalski et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
1 1Bu-21Ag conical intersection in trans-butadiene:: ultrafast dynamics and optical spectra
RP Krawczyk et al.
CHEMICAL PHYSICS LETTERS (2000)
Share Paper
