New coupled-cluster methods with singles, doubles, and noniterative triples for high accuracy calculations of excited electronic states
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journal
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January 2004 |
Left-eigenstate completely renormalized equation-of-motion coupled-cluster methods: Review of key concepts, extension to excited states of open-shell systems, and comparison with electron-attached and ionized approaches
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journal
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November 2009 |
Non-iterative corrections to extended coupled-cluster energies employing the generalized method of moments of coupled-cluster equations
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journal
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August 2005 |
MBPT studies of van der Waals molecules. III. The reliability of apparently accurate calculations for the magnesium dimer
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journal
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March 1986 |
Mo/ller–Plesset perturbation theory for van der Waals complexes bound by electron correlation effects: Ground states of the Ar and Mg dimers
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journal
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September 1987 |
Combined coupled-cluster and many-body perturbation theories
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journal
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January 2004 |
Beryllium disease: A clinical perspective
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journal
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February 1980 |
Breaking bonds with the state‐selective multireference coupled‐cluster method employing the single‐reference formalism
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journal
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January 1995 |
On the Use of the Cluster Expansion and the Technique of Diagrams in Calculations of Correlation Effects in Atoms and Molecules
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book
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January 2007 |
Small Magnesium Clusters: Between van der Waals and Valence Bonds
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journal
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April 2010 |
A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples
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journal
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February 1982 |
Magnetic circular dichroism spectra of alkaline earth metal atoms, dimers, and aggregates in noble gas matrices
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journal
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June 1981 |
Two new classes of non-iterative coupled-cluster methods derived from the method of moments of coupled-cluster equations
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journal
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July 2006 |
Interactions in Diatomic Dimers Involving Closed-Shell Metals †
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journal
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December 2007 |
The active-space equation-of-motion coupled-cluster methods for excited electronic states: Full EOMCCSDt
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journal
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July 2001 |
The electronic structure of the ground and excited states of Mg+2 and Mg2
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journal
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January 1977 |
Combining active-space coupled-cluster approaches with moment energy corrections via the CC( P ; Q ) methodology: connected quadruple excitations
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journal
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January 2017 |
Direct Absorption Studies of Jet-Cooled Metal Dimers: Magnesium and Cesium
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journal
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September 1992 |
Converging High-Level Coupled-Cluster Energetics by Monte Carlo Sampling and Moment Expansions
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journal
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November 2017 |
Laser photoluminescence spectra of diatomic magnesium (24Mg2 and 26Mg2) in solid argon at 12 K
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journal
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May 1978 |
Active-space coupled-cluster methods
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journal
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November 2010 |
Geometries, Binding Energies, Ionization Potentials, and Electron Affinities of Metal Clusters: Mg n 0, ± 1 , n = 1–7
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journal
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June 2016 |
Ultraviolet emission from magnesium atoms isolated in rare gas matrices
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journal
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December 1974 |
Polarizability and Long‐Range Interactions of Magnesium Atoms
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journal
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May 1971 |
The unique bonding characteristics of beryllium and the Group IIA metals
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journal
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April 2011 |
Correlation problems in atomic and molecular systems III. Rederivation of the coupled-pair many-electron theory using the traditional quantum chemical methodst
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journal
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July 1971 |
Active-space equation-of-motion coupled-cluster methods for excited states of radicals and other open-shell systems: EA-EOMCCSDt and IP-EOMCCSDt
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journal
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October 2005 |
Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions
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journal
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October 2013 |
Short-range correlations in nuclear wave functions
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journal
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June 1960 |
A new implementation of the full CCSDT model for molecular electronic structure
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journal
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November 1988 |
First principles electron-correlated calculations of optical absorption in magnesium clusters
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journal
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November 2017 |
Profiling the binding motif between Be and Mg in the ground state via a single-reference coupled cluster method
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journal
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February 2015 |
Graphische Darstellung einiger bandenspektroskopischer Ergebnisse
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journal
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May 1932 |
Single reference coupled cluster calculations for weakly bound alkaline-earth metal dimers in the ground state: a useful perturbative scheme for an iterative triples correction
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journal
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January 2012 |
Absorption spectrum of the Mg2 molecule in solid rare gases
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journal
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October 1971 |
Gaussian basis sets for use in correlated molecular calculations. VII. Valence, core-valence, and scalar relativistic basis sets for Li, Be, Na, and Mg
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journal
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May 2010 |
Rotational Dependence of Franck–Condon Factors in the System of 24 Mg 2
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journal
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July 1972 |
Recent advances in electronic structure theory: Method of moments of coupled-cluster equations and renormalized coupled-cluster approaches
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journal
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October 2002 |
Long-range analysis of the internuclear potential of Mg2
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journal
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December 1970 |
The A 1Σ u + system of Mg2
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journal
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October 2014 |
The linked singles and doubles model: An approximate theory of electron correlation based on the coupled‐cluster ansatz
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journal
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October 1982 |
The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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journal
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December 1989 |
Spectre d'absorption de la vapeur de magnésium dans l'ultra-violet proche
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journal
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January 1964 |
Method of moments of coupled-cluster equations: a new formalism for designing accurate electronic structure methods for ground and excited states
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journal
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July 2004 |
The calculation of potential-energy curves from band-spectroscopic data
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journal
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November 1947 |
The active-space equation-of-motion coupled-cluster methods for excited electronic states: The EOMCCSDt approach
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journal
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November 2000 |
Short- and long-range binding of Be with Mg in the X 1 Σ + ground state and in the A 1 Π excited state
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journal
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September 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
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journal
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September 2012 |
Raman spectrum of matrix isolated molecular magnesium species
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journal
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August 1978 |
Vibrational levels near dissociation in Mg 2 and long‐range forces
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journal
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October 1973 |
LEVEL: A computer program for solving the radial Schrödinger equation for bound and quasibound levels
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journal
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January 2017 |
State‐selective multireference coupled‐cluster theory employing the single‐reference formalism: Implementation and application to the H 8 model system
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journal
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April 1994 |
A state‐selective multireference coupled‐cluster theory employing the single‐reference formalism
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journal
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August 1993 |
The alkaline earth dimer cations (Be 2 + , Mg 2 + , Ca 2 + , Sr 2 + , and Ba 2 + ). Coupled cluster and full configuration interaction studies †
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journal
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June 2013 |
Über einige Potentialkurven des Quecksilberhydrids
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journal
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February 1933 |
Application of the CC( P ; Q ) Hierarchy of Coupled-Cluster Methods to the Beryllium Dimer
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journal
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January 2018 |
Absorption spectrum of the Mg 2 molecule
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journal
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April 1970 |
Embedding vs Supermolecular Strategies in Evaluating the Hydrogen-Bonding-Induced Shifts of Excitation Energies
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journal
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May 2011 |
New type of noniterative energy corrections for excited electronic states: Extension of the method of moments of coupled-cluster equations to the equation-of-motion coupled-cluster formalism
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journal
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August 2001 |
The full CCSDT model for molecular electronic structure
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journal
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June 1987 |
Vaporization of Inorganic Substances: B 2 O 3 , TeO 2 and Mg 3 N 2
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journal
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February 1955 |
Discrete and continuous Franck Condon factors of the Mg 2 A 1 Σ + u – X 1 Σ + g system and their J dependence
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journal
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April 1977 |
The state-selective coupled cluster method for quasi-degenerate electronic states
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journal
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May 1998 |
Beryllium Dimer--Caught in the Act of Bonding
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journal
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May 2009 |
Extension of the Renormalized Coupled-Cluster Methods Exploiting Left Eigenstates of the Similarity-Transformed Hamiltonian to Open-Shell Systems: A Benchmark Study †
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journal
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November 2007 |
Improved computational strategy for the state‐selective coupled‐cluster theory with semi‐internal triexcited clusters: Potential energy surface of the HF molecule
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journal
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December 1995 |
The potential energy curve for the X 1 Σ g + state of Mg 2 calculated with many‐body perturbation theory
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journal
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March 1978 |
Absorption spectra of matrix-isolated alkaline earth metal diatomic molecules
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journal
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January 1977 |
The implementation of the multireference coupled‐cluster method based on the single‐reference formalism
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journal
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March 1992 |
A b i n i t i o potential curve for Be 2 ( 1 Σ g + ) from the interacting correlated fragments method
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journal
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March 1980 |
The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
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journal
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May 1993 |
The coupled‐cluster single, double, triple, and quadruple excitation method
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journal
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September 1992 |
Generating Molecular Rovibrational Coherence by Two-Photon Femtosecond Photoassociation of Thermally Hot Atoms
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journal
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December 2011 |
The potential energy curves of the X 1 Σ g + ground states of Mg 2 and Ca 2 using the interacting correlated fragments model
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journal
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December 1992 |
Zur Berechnung von Potentialkurven f�r zweiatomige Molek�le mit Hilfe von Spektraltermen
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journal
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March 1932 |
Single-reference, size-extensive, non-iterative coupled-cluster approaches to bond breaking and biradicals
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journal
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February 2006 |
III. On the molecular spectra of mercury, zinc, cadmium, magnesium, and thallium
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journal
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July 1931 |
Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equations
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journal
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January 1991 |
Molecular bonding in Group IIA dimers Be 2 –Ba 2
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journal
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August 1979 |
On the dissociation energy of Mg 2
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journal
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May 1990 |
Extensive generalization of renormalized coupled-cluster methods
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journal
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February 2005 |
Multireference coupled‐cluster method using a single‐reference formalism
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journal
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January 1991 |
Photophysical properties of matrix‐isolated Mg 2 : Evidence for efficient predissociation
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journal
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March 1988 |
General atomic and molecular electronic structure system
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journal
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November 1993 |
Bound states of a many-particle system
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journal
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June 1958 |
Ab initio potential energy curves and binding energies of Ar 2 and Mg 2
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journal
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February 1994 |
Ab initio calculations for the potential curves and spin-orbit coupling of Mg 2
- Czuchaj, E.; Krośnicki, M.; Stoll, H.
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Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), Vol. 107, Issue 1
https://doi.org/10.1007/s002140100296
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journal
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December 2001 |
Renormalized coupled-cluster methods exploiting left eigenstates of the similarity-transformed Hamiltonian
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journal
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December 2005 |
An electron pair operator approach to coupled cluster wave functions. Application to He 2 , Be 2 , and Mg 2 and comparison with CEPA methods
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journal
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April 1981 |
The method of moments of coupled-cluster equations and the renormalized CCSD[T], CCSD(T), CCSD(TQ), and CCSDT(Q) approaches
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journal
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July 2000 |
Biorthogonal moment expansions in coupled-cluster theory: Review of key concepts and merging the renormalized and active-space coupled-cluster methods
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journal
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June 2012 |
Coupled‐cluster method truncated at quadruples
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journal
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November 1991 |
Coupled-cluster methods with internal and semi-internal triply excited clusters: Vibrational spectrum of the HF molecule
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journal
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October 1999 |
Femtosecond coherent control of thermal photoassociation of magnesium atoms
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journal
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January 2011 |
Efficient computer implementation of the renormalized coupled-cluster methods: The R-CCSD[T], R-CCSD(T), CR-CCSD[T], and CR-CCSD(T) approaches
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journal
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December 2002 |
On the Correlation Problem in Atomic and Molecular Systems. Calculation of Wavefunction Components in Ursell‐Type Expansion Using Quantum‐Field Theoretical Methods
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journal
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December 1966 |
Matrix isolation of Mg2 and Mgn molecules in neon, argon, and nitrogen hosts
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journal
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June 1976 |
Scattering length of the ground-state Mg + Mg collision
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journal
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April 2002 |
Basis-set convergence of correlated calculations on water
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journal
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June 1997 |
Coupled-cluster methods with internal and semi-internal triply and quadruply excited clusters: CCSDt and CCSDtq approaches
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journal
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April 1999 |
Towards the one‐particle basis set limit of second‐order correlation energies: MP2‐R12 calculations on small Be n and Mg n clusters ( n =1–4)
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journal
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October 1993 |
In Search of the Relationship between Multiple Solutions Characterizing Coupled-Cluster Theories
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book
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October 2000 |
First principles electron-correlated calculations of optical absorption in magnesium clusters
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text
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January 2015 |