Browsing by Subject "Ground state"
Now showing items 120 of 25

Article
Analysis of the excitedstate absorption spectral bandshape of oligofluorenes
(2010)We present ultrafast transient absorption spectra of two oligofluorene derivatives in dilute solution. These spectra display a photoinduced absorption band with clear vibronic structure, which we analyze rigorously using ...

Article
Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters
(2017)The initial use of ligands 2′hydroxyacetophenone (HL1), 2hydroxybenzophenone (HL2) and 2,2′dihydroxybenzophenone (H2L3) in iron(iii) chemistry is described. The syntheses and crystal structures are reported for five ...

Article
Competing brokensymmetry and rotationally symmetric spinsinglet states in a fewelectron quantum dot in a magnetic field
(2008)On the basis of developed variational manybody approach, within a second quantized formulation, the nature of the ground state of a fewelectron system in a parabolic twodimensional (2D) quantum dot (QD) is theoretically ...

Conference Object
Coulomb repulsive correlation in A3B5 semiconductor quantum dots in the presence of a magnetic field
(2006)The ground state total and correlation energies of a negative ionelectron and electronelectron systems in a parabolic QD with standard dispersion law are theoretically investigated in an external magnetic field by a ...

Article
Coulomb repulsive correlation in systems with radial confinement: Quantum dots and the Overhauser model in an external magnetic field
(2006)The groundstate correlation energy of an electronnegative ion system in a spherical quantum dot (QD) with parabolic confinement in an external homogeneous magnetic field is investigated. Both cases of finite and infinite ...

Article
Effect of halogen substitution on pphenylenebiscarbene
(2005)The effect of halogen (F, Cl, and Br) perturbation on the geometries and relative energies of five electronic states (one quintet, two triplets, and two singlets) of pphenylenebiscarbene (1H) was examined computationally ...

Conference Object
Effect of molecular weight on the vibronic structure of a diketopyrrolopyrrole polymer
(SPIE, 2016)Resonance Raman Spectroscopy (RRS) is employed in this study to examine the influence of molecular weight on the optical response of a diketopyrrolopyrrole polymer (DPPTTT) in solution. The vibronic structure observed ...

Article
Evolution of a BoseEinstein condensate in a rapidly expanding circular box
(2007)We examine the evolution of the ground state of a BoseEinstein condensate in a twodimensional circular box, the wall of which is initially at rest and then recedes with large and constant speed. The final state of the ...

Article
Excitondonor complexes in semiconductor quantum dots in a magnetic field: Infinite and finite potential barriers
(2008)The binding energy of the ground state of a charged excitondonor complex in a spherical semiconductor quantum dot with infinite and finite potential barriers as well as the oscillator strength for the optical transition ...

Article
A family of 3D coordination polymers composed of Mn19 magnetic units
(2006)(Figure Presented) Singles networks: The use of 1,3propanediol and of 2methyl1,3propanediol in manganese carboxylate chemistry leads to two new 3D coordination polymers with an unprecedented Mn19 repeating unit. The ...

Article
Femtosecond UV pump/nearIR probe studies of the solventdependent excitedstate decay dynamics of chlorine dioxide
(2001)The excitedstate decay and geminaterecombination dynamics of chlorine dioxide (OClO) are investigated using UV pump/nearIR probe spectroscopy. Experiments are performed with 200fs time resolution on OClO dissolved in ...

Conference Object
Fewelectron systems in a quantum dot in a magnetic field: The Wigner molecule and paired electron phases
(2006)We have developed a variational manybody description for fewelectron systems in a parabolic quantum dot in an external magnetic field. The ground state energy of the electronic system has been theoretically investigated ...

Article
Geometrically strained carbenes: Interdependence among geometry, spin multiplicity and reactivity
(2001)The singlet and triplet states of cyclobutenylidene 1 and benzocyclobutenylidene 2 have been studied computationally (using ab initio and DFT methods) in order to assess the effect of angle strain on the ST gap of vinyl ...

Article
Inducing singlemolecule magnetism in a family of loopofloops aggregates: Heterometallic Mn40Na4 clusters and the homometallic Mn44 analogue
(2010)The syntheses, crystal structures, and magnetic properties of a new family of heterometallic Mn40Na4 and homometallic Mn44 loopofloops aggregates are reported. The reactions of [Mn3O(O 2CMe)6(py)3]•py with 1,3propanediol ...

Article
Magnetic "Molecular Oligomers" Based on Decametallic Supertetrahedra: A Giant Mn49 Cuboctahedron and its Mn25Na4 Fragment
(2016)Two nanosized Mn49 and Mn25Na4 clusters based on analogues of the highspin (S=22) [MnIII 6MnII 4(μ4O)4]18+ supertetrahedral core are reported. Mn49 and Mn25Na4 complexes consist of eight and four decametallic supertetrahedral ...

Article
A microporous Co2+ metal organic framework with singlecrystal to singlecrystal transformation properties and high CO2 uptake
(2015)The synthesis and characterization of {[Co9(INA)18(H2O)6]·11DMF·15H2O}∞ (Co9INA·11DMF·15H2O) (INA = the anion of isonicotinic acid) is reported. It exhibits a rigid 3Dporous structure with a Co9 repeating unit consisting ...

Article
Nonpeturbative density expansions for extended Coulomb systems
(2000)We present a general nonperturbative argument that combines the Pauli and virial theorems for a multicomponent translationally invariant Coulombic system of fermions at zero temperature, and which by an iteration procedure ...

Article
Piecewise analytic approximation for BoseEinstein condensates in isotropic harmonic traps
(2004)Analytic simulacra of the wave functions in the regions around the origin and far from the origin were constructed to emulate the ground state and the singlevortex state of a BoseEinstein condensate in an isotropic ...

Article
Piecewise linear emulator of the nonlinear Schrödinger equation and the resulting analytic solutions for BoseEinstein condensates
(2003)A most general method for finding very good analytic approximate solutions to the cubic nonlinear Schrodinger equation is presented. This method applies whenever the nonlinearity in that equation is a purely cubic one. It ...

Article
The production and decay kinetics of CIOO in water and freon11: A timeresolved resonance Raman study
(2001)The production and decay kinetics of ClOO in water and freon11 were studied using timeresolved resonance Raman (TRRR) spectroscopy. The formation of ClOO following OClO photoexcitation at 390 nm was investigated using ...