Born-Oppenheimer wave function near level crossing

Born-oppenheimer approximation near level crossing

We consider the Born-Oppenheimer problem near conical intersection in two dimensions. For energies close to the crossing energy we describe the wave function near an isotropic crossing and show that it is related to generalized hypergeometric functions 0F3. This function is to a conical intersection what the Airy function is to a classical turning point. As an application we calculate the anoma...

0 Born - Oppenheimer Approximation near Level Crossing

We consider the Born-Oppenheimer problem near conical intersection in two dimensions. For energies close to the crossing energy we describe the wave function near an isotropic crossing and show that it is related to generalized hypergeometric functions 0 F 3. This function is to a conical intersection what the Airy function is to a classical turning point. As an application we calculate the ano...

Wave function extended Lagrangian Born-Oppenheimer molecular dynamics

The Born-Oppenheimer Approximation

where R is the set of nuclear coordinates and r is the set of electronic coordinates. If spin-orbit effects are important, they can be added through a spin-orbit operator Ĥso. Unfortunately, the V̂eN(r,R) term prevents us from separating Ĥ into nuclear and electronic parts, which would allow us to write the molecular wavefunction as a product of nuclear and electronic terms, Ψ(r,R) = Ψ(r)χ(R). W...

ua nt - p h / 99 11 12 1 v 4 2 9 M ay 2 00 0 Born - Oppenheimer Approximation near Level Crossing

We consider the Born-Oppenheimer problem near conical intersection in two dimensions. For energies close to the crossing energy we describe the wave function near an isotropic crossing and show that it is related to generalized hypergeometric functions 0 F 3. This function is to a conical intersection what the Airy function is to a classical turning point. As an application we calculate the ano...