Ab initio study of spin-orbit coupling effects on the low
... cation, it has been concluded4,15,16 that the inclusion of electron correlation effects is an essential prerequisite for an accurate description of d–d excitations in NiO. In a previous study17 , we have developed an ab initio theory for the second harmonic generation (SHG) from the NiO(001) surface ...
... cation, it has been concluded4,15,16 that the inclusion of electron correlation effects is an essential prerequisite for an accurate description of d–d excitations in NiO. In a previous study17 , we have developed an ab initio theory for the second harmonic generation (SHG) from the NiO(001) surface ...
A Quantum Similarity Study of Atomic Density Functions: Insights
... Quantification of molecular similarity using an electron density based Quantum Similarity Index (QSI) yields compact information on the similarity in shape and extent of the electron density distribution of various molecules. These data can be used as descriptor in comparative discussions of molecul ...
... Quantification of molecular similarity using an electron density based Quantum Similarity Index (QSI) yields compact information on the similarity in shape and extent of the electron density distribution of various molecules. These data can be used as descriptor in comparative discussions of molecul ...
Quantum Theory of Atomic and Molecular Structures and Interactions
... method [20] are two such examples that have been heavily used in these works. It is also note worthy to mention that the HF method results in a single determinant approximation to the multi-electron wavefunction. The alternative is to use multiple determinants, which in the literature is called the ...
... method [20] are two such examples that have been heavily used in these works. It is also note worthy to mention that the HF method results in a single determinant approximation to the multi-electron wavefunction. The alternative is to use multiple determinants, which in the literature is called the ...
Experimental and Theoretical Studies of Highly-Excited Diatomic Molecules at a Wide
... at Trent University under the guidance of Prof. Ralph Shiell, whose knowledge and enthusiasm have been a driving force behind my development as a physicist. I shall be eternally grateful for the breadth and depth of knowledge and understanding you passed on to me in many areas of physics and experim ...
... at Trent University under the guidance of Prof. Ralph Shiell, whose knowledge and enthusiasm have been a driving force behind my development as a physicist. I shall be eternally grateful for the breadth and depth of knowledge and understanding you passed on to me in many areas of physics and experim ...
Electrostatics - PRADEEP KSHETRAPAL PHYSICS
... (4) Dimension : [ML2 T 0 ] (5) S.I. unit : kgm2. (6) Moment of inertia depends on mass, distribution of mass and on the position of axis of rotation. (7) Moment of inertia does not depend on angular velocity, angular acceleration, torque, angular momentum and rotational kinetic energy. (8) It is not ...
... (4) Dimension : [ML2 T 0 ] (5) S.I. unit : kgm2. (6) Moment of inertia depends on mass, distribution of mass and on the position of axis of rotation. (7) Moment of inertia does not depend on angular velocity, angular acceleration, torque, angular momentum and rotational kinetic energy. (8) It is not ...
vortices - University of Toronto Physics
... probability density! They have fascinating properties, many of which were first discussed by Feynman in the early 1950’s, as fully quantum-mechanical objects. We now know that most of the flow properties of He superfluid are governed by the vortices in them, which can form very complex patterns. The ...
... probability density! They have fascinating properties, many of which were first discussed by Feynman in the early 1950’s, as fully quantum-mechanical objects. We now know that most of the flow properties of He superfluid are governed by the vortices in them, which can form very complex patterns. The ...
Nuts and Bolts of the Ion Band State Theory
... KC's omissions as well as omissions in other models that treat phonons as being neutrally-charged fail to include a distinctive bonding feature of H and its isotopes in a metallic host: the possibility that the “atomic centers” of H(D) or 3H (Tritium) can become so mobile that they can “move” in res ...
... KC's omissions as well as omissions in other models that treat phonons as being neutrally-charged fail to include a distinctive bonding feature of H and its isotopes in a metallic host: the possibility that the “atomic centers” of H(D) or 3H (Tritium) can become so mobile that they can “move” in res ...
Quantum Optical Multiple Scattering
... This thesis concerns the theoretical investigation of interference phenomena related to elastic and inelastic scattering of quantized light. The presented work is naturally divided into two parts, the first is concerning elastic scattering while the second explores inelastic scattering. In the first ...
... This thesis concerns the theoretical investigation of interference phenomena related to elastic and inelastic scattering of quantized light. The presented work is naturally divided into two parts, the first is concerning elastic scattering while the second explores inelastic scattering. In the first ...
