Related references
Note: Only part of the references are listed.A density matrix renormalization group investigation on the electronic states of MnGen-/0/+ (n=1-3) clusters
Van Tan Tran et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2021)
Electronic States of CoSin-|0|+ (n=1-3) Clusters from Density Matrix Renormalization Group-CASPT2 Calculations
Van Tan Tran
JOURNAL OF PHYSICAL CHEMISTRY A (2021)
Endohedrally Doped Cage Clusters
Jijun Zhao et al.
CHEMICAL REVIEWS (2020)
Electronic structures ofNbGen-/0/+(n=1-3) clusters from multiconfigurationalCASPT2and density matrix renormalization group-CASPT2calculations
Van Tan Tran et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2020)
OpenMolcas: From Source Code to Insight
Ignacio Fdez Galvan et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)
A new interpretation of the photoelectron spectrum of VSi4 cluster by density functional theory and multiconfigurational CASSCF/CASPT2 calculations
Van Tan Tran et al.
CHEMICAL PHYSICS LETTERS (2017)
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
Sebastian Wouters et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Quantum Chemical Study of the Low-Lying Electronic States of VSi3-/0 Clusters and Interpretation of the Anion Photoelectron Spectrum
Van Tan Tran et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters et al.
COMPUTER PHYSICS COMMUNICATIONS (2014)
The density matrix renormalization group for ab initio quantum chemistry
Sebastian Wouters et al.
EUROPEAN PHYSICAL JOURNAL D (2014)
Structures and magnetic properties of CrSin- (n=3-12) clusters: Photoelectron spectroscopy and density functional calculations
Xiangyu Kong et al.
JOURNAL OF CHEMICAL PHYSICS (2012)
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Second-order perturbation theory with a density matrix renormalization group self-consistent field reference function: Theory and application to the study of chromium dimer
Yuki Kurashige et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
The electron photodetachment spectrum of c-C4F8-:: A test case for the computation of Franck-Condon factors of highly flexible molecules
Raffaele Borrelli et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Anion photoelectron spectroscopy of transition metal- and lanthanide metal-silicon clusters: MSin- (n=6-20)
Kiichirou Koyasu et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Electronic and geometric stabilities of clusters with transition metal encapsulated by silicon
Kiichirou Koyasu et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2007)
Mass spectrometric stability study of binary MSn clusters (S = Si, Ge, Sn, Pb, and M = Cr, Mn, Cu, Zn)
S. Neukermans et al.
INTERNATIONAL JOURNAL OF MASS SPECTROMETRY (2006)
Systematically convergent basis sets for transition metals.: I.: All-electron correlation consistent basis sets for the 3d elements Sc-Zn -: art. no. 064107
NB Balabanov et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Selective formation of MSi16 (M = Sc, Ti, and V)
K Koyasu et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2005)
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
F Weigend et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Comparative assessment of a new nonempirical density functional: Molecules and hydrogen-bonded complexes
VN Staroverov et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Dynamics of radiationless transitions in large molecular systems: A Franck-Condon-based method accounting for displacements and rotations of all the normal coordinates
R Borrelli et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Climbing the density functional ladder: Nonempirical meta-generalized gradient approximation designed for molecules and solids
JM Tao et al.
PHYSICAL REVIEW LETTERS (2003)
Geometric and electronic structures of metal (M)-doped silicon clusters (M = Ti, Hf, Mo and W)
M Ohara et al.
CHEMICAL PHYSICS LETTERS (2003)
Stabilization of Si-based cage clusters and nanotubes by encapsulation of transition metal atoms
AN Andriotis et al.
NEW JOURNAL OF PHYSICS (2002)
Magic numbers in metallo-inorganic clusters: Chromium encapsulated in silicon cages
SN Khanna et al.
PHYSICAL REVIEW LETTERS (2002)
A density functional theory investigation of CrSin (n=1-6) clusters
JG Han et al.
CHEMICAL PHYSICS (2001)
Share Paper
