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Bond Softening
Bond softening is an effect of reducing the strength of a chemical bond by strong laser fields. To make this effect significant, the strength of the electric field in the laser light has to be comparable with the electric field the bonding electron "feels" from the nuclei of the molecule. Such fields are typically in the range of 1–10 V/Å, which corresponds to laser intensities 1013–1015 W/cm2. Nowadays, these intensities are routinely achievable from table-top Ti:Sapphire lasers. Theory Theoretical description of bond softening can be traced back to early work on dissociation of diatomic molecules in intense laser fields. While the quantitative description of this process requires quantum mechanics, it can be understood qualitatively using quite simple models. Low-intensity description Consider the simplest diatomic molecule, the H2+ ion. The ground state of this molecule is bonding and the first excited state is antibonding. This means that when we plot the potential ene ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Chemical Bond
A chemical bond is a lasting attraction between atoms or ions that enables the formation of molecules and crystals. The bond may result from the electrostatic force between oppositely charged ions as in ionic bonds, or through the sharing of electrons as in covalent bonds. The strength of chemical bonds varies considerably; there are "strong bonds" or "primary bonds" such as covalent, ionic and metallic bonds, and "weak bonds" or "secondary bonds" such as dipole–dipole interactions, the London dispersion force and hydrogen bonding. Strong chemical bonding arises from the sharing or transfer of electrons between the participating atoms. Since opposite electric charges attract, the negatively charged electrons surrounding the nucleus and the positively charged protons within a nucleus attract each other. An electron positioned between two nuclei will be attracted to both of them, and the nuclei will be attracted toward electrons in this position. This attraction const ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Adiabatic Theorem
The adiabatic theorem is a concept in quantum mechanics. Its original form, due to Max Born and Vladimir Fock (1928), was stated as follows: :''A physical system remains in its instantaneous eigenstate if a given perturbation is acting on it slowly enough and if there is a gap between the eigenvalue and the rest of the Hamiltonian's spectrum.'' In simpler terms, a quantum mechanical system subjected to gradually changing external conditions adapts its functional form, but when subjected to rapidly varying conditions there is insufficient time for the functional form to adapt, so the spatial probability density remains unchanged. Diabatic vs. adiabatic processes At some initial time t_0 a quantum-mechanical system has an energy given by the Hamiltonian \hat(t_0); the system is in an eigenstate of \hat(t_0) labelled \psi(x,t_0). Changing conditions modify the Hamiltonian in a continuous manner, resulting in a final Hamiltonian \hat(t_1) at some later time t_1. The system will ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Physics
Molecular physics is the study of the physical properties of molecules and molecular dynamics. The field overlaps significantly with physical chemistry, chemical physics, and quantum chemistry. It is often considered as a sub-field of atomic, molecular, and optical physics. Research groups studying molecular physics are typically designated as one of these other fields. Molecular physics addresses phenomena due to both molecular structure and individual atomic processes within molecules. Like atomic physics, it relies on a combination of classical and quantum mechanics to describe interactions between electromagnetic radiation and matter. Experiments in the field often rely heavily on techniques borrowed from atomic physics, such as spectroscopy and scattering. Molecular Structure In a molecule, both the electrons and nuclei experience similar-scale forces from the Coulomb interaction. However, the nuclei remain at nearly fixed locations in the molecule while the electrons ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Conical Intersection
In quantum chemistry, a conical intersection of two or more potential energy surfaces is the set of molecular geometry points where the potential energy surfaces are degenerate (intersect) and the non-adiabatic couplings between these states are non-vanishing. In the vicinity of conical intersections, the Born–Oppenheimer approximation breaks down and the coupling between electronic and nuclear motion becomes important, allowing non-adiabatic processes to take place. The location and characterization of conical intersections are therefore essential to the understanding of a wide range of important phenomena governed by non-adiabatic events, such as photoisomerization, photosynthesis, vision and the photostability of DNA. The conical intersection involving the ground electronic state potential energy surface of the C6H3F3+ molecular ion is discussed in connection with the Jahn–Teller effect in Section 13.4.2 on pages 380-388 of the textbook by Bunker and Jensen. Conical inter ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Time-of-flight Mass Spectrometry
Time-of-flight mass spectrometry (TOFMS) is a method of mass spectrometry in which an ion's mass-to-charge ratio is determined by a time of flight measurement. Ions are accelerated by an electric field of known strength. This acceleration results in an ion having the same kinetic energy as any other ion that has the same charge. The velocity of the ion depends on the mass-to-charge ratio (heavier ions of the same charge reach lower speeds, although ions with higher charge will also increase in velocity). The time that it subsequently takes for the ion to reach a detector at a known distance is measured. This time will depend on the velocity of the ion, and therefore is a measure of its mass-to-charge ratio. From this ratio and known experimental parameters, one can identify the ion. Theory The potential energy of a charged particle in an electric field is related to the charge of the particle and to the strength of the electric field: where ''E''p is potential energy, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
YAG Laser )
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YAG laser may refer to two types of lasers that use yttrium aluminum garnet (YAG): * Nd:YAG laser (doped with neodymium) * Er:YAG laser (doped with erbium Erbium is a chemical element with the symbol Er and atomic number 68. A silvery-white solid metal when artificially isolated, natural erbium is always found in chemical combination with other elements. It is a lanthanide, a rare-earth element, ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Philip H
Philip, also Phillip, is a male given name, derived from the Greek (''Philippos'', lit. "horse-loving" or "fond of horses"), from a compound of (''philos'', "dear", "loved", "loving") and (''hippos'', "horse"). Prominent Philips who popularized the name include kings of Macedonia and one of the apostles of early Christianity. ''Philip'' has many alternative spellings. One derivation often used as a surname is Phillips. It was also found during ancient Greek times with two Ps as Philippides and Philippos. It has many diminutive (or even hypocoristic) forms including Phil, Philly, Lip, Pip, Pep or Peps. There are also feminine forms such as Philippine and Philippa. Antiquity Kings of Macedon * Philip I of Macedon * Philip II of Macedon, father of Alexander the Great * Philip III of Macedon, half-brother of Alexander the Great * Philip IV of Macedon * Philip V of Macedon New Testament * Philip the Apostle * Philip the Evangelist Others * Philippus of Croton (c. 6th ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Landau–Zener Formula
The Landau–Zener formula is an analytic solution to the equations of motion governing the transition dynamics of a two-state quantum system, with a time-dependent Hamiltonian varying such that the energy separation of the two states is a linear function of time. The formula, giving the probability of a diabatic (not adiabatic) transition between the two energy states, was published separately by Lev Landau, Clarence Zener, Ernst Stueckelberg, and Ettore Majorana, in 1932. If the system starts, in the infinite past, in the lower energy eigenstate, we wish to calculate the probability of finding the system in the upper energy eigenstate in the infinite future (a so-called Landau–Zener transition). For infinitely slow variation of the energy difference (that is, a Landau–Zener velocity of zero), the adiabatic theorem tells us that no such transition will take place, as the system will always be in an instantaneous eigenstate of the Hamiltonian at that moment in time. At non-z ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Avoided Crossing
In quantum physics and quantum chemistry, an avoided crossing (sometimes called intended crossing, ''non-crossing'' or anticrossing) is the phenomenon where two eigenvalues of an Hermitian matrix representing a quantum observable and depending on ''N'' continuous real parameters cannot become equal in value ("cross") except on a manifold of ''N''-2 dimensions. The phenomenon is also known as the von Neumann–Wigner theorem. In the case of a diatomic molecule (with one parameter, namely the bond length), this means that the eigenvalues cannot cross at all. In the case of a triatomic molecule, this means that the eigenvalues can coincide only at a single point (see conical intersection). This is particularly important in quantum chemistry. In the Born–Oppenheimer approximation, the electronic molecular Hamiltonian is diagonalized on a set of distinct molecular geometries (the obtained eigenvalues are the values of the adiabatic potential energy surfaces). The geometries for ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Irradiance
In radiometry, irradiance is the radiant flux ''received'' by a ''surface'' per unit area. The SI unit of irradiance is the watt per square metre (W⋅m−2). The CGS unit erg per square centimetre per second (erg⋅cm−2⋅s−1) is often used in astronomy. Irradiance is often called intensity, but this term is avoided in radiometry where such usage leads to confusion with radiant intensity. In astrophysics, irradiance is called ''radiant flux''. Spectral irradiance is the irradiance of a surface per unit frequency or wavelength, depending on whether the spectrum is taken as a function of frequency or of wavelength. The two forms have different dimensions and units: spectral irradiance of a frequency spectrum is measured in watts per square metre per hertz (W⋅m−2⋅Hz−1), while spectral irradiance of a wavelength spectrum is measured in watts per square metre per metre (W⋅m−3), or more commonly watts per square metre per nanometre (W⋅m−2⋅nm−1). Mathematical ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Matrix Diagonalisation
In linear algebra, a square matrix A is called diagonalizable or non-defective if it is similar to a diagonal matrix, i.e., if there exists an invertible matrix P and a diagonal matrix D such that or equivalently (Such D are not unique.) For a finite-dimensional vector space a linear map T:V\to V is called diagonalizable if there exists an ordered basis of V consisting of eigenvectors of T. These definitions are equivalent: if T has a matrix representation T = PDP^ as above, then the column vectors of P form a basis consisting of eigenvectors of and the diagonal entries of D are the corresponding eigenvalues of with respect to this eigenvector basis, A is represented by Diagonalization is the process of finding the above P and Diagonalizable matrices and maps are especially easy for computations, once their eigenvalues and eigenvectors are known. One can raise a diagonal matrix D to a power by simply raising the diagonal entries to that power, and the determi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Hamiltonian
In atomic, molecular, and optical physics and quantum chemistry, the molecular Hamiltonian is the Hamiltonian operator representing the energy of the electrons and nuclei in a molecule. This operator and the associated Schrödinger equation play a central role in computational chemistry and physics for computing properties of molecules and aggregates of molecules, such as thermal conductivity, specific heat, electrical conductivity, optical, and magnetic properties, and reactivity. The elementary parts of a molecule are the nuclei, characterized by their atomic numbers, ''Z'', and the electrons, which have negative elementary charge, −''e''. Their interaction gives a nuclear charge of ''Z'' + ''q'', where , with ''N'' equal to the number of electrons. Electrons and nuclei are, to a very good approximation, point charges and point masses. The molecular Hamiltonian is a sum of several terms: its major terms are the kinetic energies of the electrons and the ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
