THOx

THOx is a CDCC code for two-body projectiles, with the possibility of including core and target excitations. The code has been developed by the Nuclear Theory Group based at the University of Seville. It works with standard fortran compilers (ifort, gfortran,etc)

The code assumes a reaction of the form

a(=c+v) + A -> c + v + A

where "c" and "v" are the fragment constituents (denoted, for convenience, core and valence particles, respectively) and "A" represents the target nucleus.

Short input description

SYSTEM namelist: Zv, Av, Zc, Ac, sn

• Zv, Zc: charge of valence and core particles
• Av, Ac: mass number of valence and core particles
• sn : intrinsic spin of valence particle

CORESTATES namelist: spin, parity, ex

• spin, parity, ex: intrinsic spin, parity and excitation energy of this core state

  This namelist can be repeated if more than one core state is to be included. After the last core state is introduced, an empty CORESTATE namelist must be included.

OUTPUT namelist: wfout, cdcc, verb, solapout, froverlaps

Controls the information printed out in stdout and auxiliary files.

• wfout(:): array containing the indeces of the projectile eigenstates whose wavefunctions will be printed out.
• solapout(:): array containing the indexes of the projectile eigenstates whose overlap with the scattering states will be printed.
• cdccwf (T/F): If true, write CDCC wavefunction (internal and channel wfs)
• checkort (T/F): If true, computes overlap matrix for calculated eigenfunctions to check orthonormality. Overlap matrix is written in fort.90 file
• verb: controls the amount of output information
• froverlaps (integer): print wavefunctions and vertex functions in fresco format (overlaps.fr)
  • froverlaps=0: no printing
  • froverlaps=1: print REAL functions
  • froverlaps=2: for unbound eigenvalues, print COMPLEX functions

GRID namlist: ng, rmin, rint, rmax, dr, rlast

Radial grid for projectile eigenfunctions:

• rmin, rmax, dr: radial grid for core+valence relative motion
• rint: when calculating the c+v scattering states, maximum radius up to which the equation will be integrated numerically. For r>rint, the asymptotic form will be assumed

&POTENTIAL namelist: ptype, ap, at, Vl0(:), r0, a0, Vso, rso, aso, Vss,rss,ass,pcmodel, lambda, kband, lpot, cptype, Vcp0, rcp0, acp, delta, lsderiv

Core+valence central and deformed (coupling) potentials:

• ptype: potential type

  • ptype=0: Coulomb
  • ptype=1: Woods-Saxon
  • ptype=2: Posch-Teller
  • ptype=3: Gaussian
  • ptype=5: read coupling potentials from external file
  • ptype=10: Square-well

• ap, at: core and valence masses used in the radii conversion from reduced to physical radii

• Vl0(:): array for potential depths for each partial wave of central potential

• r0, a0: reduced radius and diffuseness of central potential

• Vso(:), rso, aso: depth, reduced radius and diffuseness of spin-orbit potential

• lsderiv: if true, use derivative formfactor

• Vss(:), rss, ass: parameters for spin-spin potential

• pcmodel: core+valence coupling model

  • pcmodel=0: particle-rotor model
  • pcmodel=1: particle-vibrator model

• lambda: multipolarity

• kband: rotational band

• lpot: when computing coupling potentials < (lf sn)jf, jcf; Jt | V | (li sn) ji jci; Jt> between projectile channels with different orbital angular momentum, specifies how the angular-momentum dependent depths are chosen:

  • 0=Use potential depth corresponding to the mininum "l"
  • 1=Use mean value of initial and final depths
  • 2=Use depth corresponding to maximum "l"
  • 3=Use "lf" (left channel)

• cptype: type of valence-core coupling potential

  • cptype=0: no coupling
  • cptype=1: derivative
  • cptype=2: exact projection on spherical harmonics
  • cptype=3: as for cptype=2, but monopole potential recalculated by quadratures

• Vcp0, rcp0, acp: parameters for the coupling potential. If Vcp0(:)=0, use the parameters of the central potential.

• delta: deformation length to deform the core-valence nuclear potential.

*This namelist can be repeated if several potential components are to be added. Use an empty potential namelist to indicate that no more componets are to be read.

PAULI namelist: n,l,j,wfname,wblock,hindrance,pfactor

• n,l,j: quantum numbers of single-particle configuration to be removed by Pauli blocking.
• wfname: filename for external file containing radial part of wf to be removed by Pauli blocking operator.
• wblock(:): array with lambda parameter multiplying the Pauli blocking operator for each core state.
• hindrance: disabled in this version.
• pfactor: disabled in this version.

This namelist can be repeated if more than one Pauli forbidden state is present. After the last state is included, an empty PAULI namelist must be included.

JPSET namelist: bastype, mlst, gamma, bosc, nho, nsp, exmin, exmax, bas2, JTOT, PARITY, lmax

• bastype: index to specify the basis type: 0 = HO basis 1 = THO basis 2 = bins
• bosc: oscillator parameters used in the HO and THO bases.
• mlst, gamma: parameters for the local scale transformation (LST) in the THO basis
• eta: Sommerfeld parameter for Coulomb LST by J.A. Lay.
• nsp: number of single-particle eigenvalues to keep in the diagonalization of the full core+valence Hamiltonian
• nbins: number of bins (bastype=2)
• nk : number or scattering states within each bin interval used to construct the bin wavefunction
• tres: included T-matrix in the weight function of the bin wfs
• inc : incoming channel for bins
• ehat (T/F): to use mean bin energies (otherwise midpoint),
• filewf: external file for wfs
• wcut: mininum weight per channel to be retained (default 1)
• vscale: scaling factor for central potential for this particular J/Pi set

SCATWF namelist: ifcont, emin, emax, nk, inc, jset,method,nbas,ns

• ifcont (T/F): true, compute scattering states for the core+valence system
• emin, emax, nk: minimum energy, maximum energy and number of scattering functions to be computed
• inc: for multichannel states, index of incoming channel
• jset: index of JPSET to specify the angular momentum and spin of the scattering states to be computed
• method: integration method (see NUMEROV namelist before)
• ns,nbas: for R-matrix method (method=5) number intervals and number of basis function per interval (defaults: ns=1, ns=50)

BELAMBDA namelist: ifbel, uwfgsfile, lambda, jset, emin, emax, nk.

• ifbel (T/F): If true, computes B(Elambda) values to discrete and continuum states
• uwfgsfile: if defined, filename to read ground state wavefunction. Otherwise, use first eigenvalue of first J/Pi set
• lambda: multipolarity
• jset: index of JPSET to specify the angular momentum and spin of the final states
• emin, emax, nk: Energy grid for continuum dB/dE

REACTION namelist: elab, namep, mp, mt, namet, zt, jt, ntex, notgdef

• elab: incident energy (in LAB) of reaction
• namep, namet: projectile and target names
• mp, mt: projectile and target masses (in atomic units)
• zt, jt: target charge and spin.
• ntex: number of excited target states to be read (default=0)
• notgdef: if zero, no target excitation/deformation will be included.

TARGSTATES namelist

If ntex>0, one or more TARGSTATES namelists will be read with the details of the target excited states to be included

• et: excitation energy (with respect to target ground state)
• It: target spin
• part: parity
• nphon: number of phonons (vibrational model)
• K: rotational band (rotational model)
• inc: not used

TRANS namelist: skip, rcc, writeff

• skip (T/F): if true, skip calculation of transition potentials
• rcc: radius for Coulom potential
• writeff: if true, print coupling potential in ff.fr file (Fresco format) and states information in states.fr (to be read with FRESCO using readstates variable)

COUPLING namelist:qcmin,qcmax,kcmax,lamin,lamax,coups,ncoul, qfactorn,qfactorc

• qcmin,qcmax: core or target excitation maximum multipolarity
• kcmax:
• lamin, lamax: maximum multipolarity for porjectile-target coupling formfactors
• coups: select couplings to be considered in the CC equations
  • 1= only gs to continuum couplings
  • 2= diagonal nuclear couplings plus all coulomb couplings
  • 3= use gs-gs diagonal couplinng for all states, plus groun state -> continuum couplings
  • 4= gs -> continuum (no diagonal couplings)
• ncoul=0: Coulomb + nuclear (default) ncoul=1: only nuclear couplings ncoul=2: only Coulomb couplings
• qfactorn(1:q): array of scaling factors for nuclear couplings of multipolarity 1:q
• qfactorc(1:q): idem for Coulomb couplings

COREPOTENTIAL/VALENCEPOTENTIAL namelists: ptype,ap,at,V0,r0,a0,rc0,cptype,Vcp0,rcp0,acp,delta,deltat,beta,betat,V0i,r0i,a0i,Vcp0i,rcp0i,acpi,deltai,betai,mel,deltait,betait,melt,potfile,np,nv,normr,normi

• ptype type of central potential
  • 0=Coulomb
  • 1= WS
  • 2= WS derivative
  • 3= Gaussian
  • 4= Posch-Teller
  • 5= External potential
• potfile: external potential filename
• normr, normi= scaling factors for external potential
• ap,at: projectile and target mass for radius conversion
• Vcp0,rcp0,acp, ,Vcp0i,rcp0i,acpi,: parameters of coupling potential for core or target excitation for real and imaginary parts
• delta, deltai: deformation length for core excitation
• deltat, deltait: deformation length for target excitation
• mel: Coulomb reduced matrix element for core excitation
• melt: Coulomb reduced matrix element for target excitation

GRID namelist:

• nquad: number of quadrature pooints for r variable in the computation of the coupling potentials V(r,R)
• radmax: valence-core maximum radius for coupling potentials V(r,R)
• rstep, rmax: radial step and maximum projectile-target distance for coupling potentials
• rextrap: if rextrap>rmax, coupling potentials will be extrapolated for rmax < R < rextrap assuming a Coulomb formfactor
• rvecin, drvec, hin

NUMEROV namelist: hcm, rmaxcc, hort, method, jtmin, jtmax, skip

• skip (T/F): if true, skips this section
• method: method of solution of the CC equations. Available options are:
  • 0= PC-numerov,
  • 1= ENA with 5 terms in Cosh[Sqrt[T]]
  • 2= ENA with 5 terms in Cosh[Sqrt[T]], only diagonal
  • 3= Raynal
  • 4= Modified Numerov used in Fresco
• hcm: radial step for projectile-target coordinate for solving the CC equations
• jtmin, jtmax: min, max total angular momentum for solving the CC equations
• hort: if nonzero, uses a stabilization procedure of the CC equations (see long text description)

XSECTIONS namelist: fileamp, thmin, thmax, dth, thcut, doublexs, triplexs, phixs, icore, ner, ermin, ermax, jsets(:), itarg

• fileamp: if defined, filename of file containing scattering amplitudes for the computation of double and triple differential cross sections. If no defined, these cross sections are calculated with the amplitudes previously calculated.
• thmin, thmax, dth: angular grid for printing scattering amplitudes and cross sections
• thcut: angular cutoff for computation of relative energy distribution
• doublexs (T/F): if true, evaluates and prints double differential cross sections as a function of core-valence relative energy
• triplexs (T/F): if true, evaluates and prints triple differential cross sections. The energy and angular grids for the fragments are later read using the framework, gridnener, gridthetac, gridthetav, gridphi namelists.
• phixs (T/F): if true, prints five-fold differential cross sections without phi angle integration
• icore: index of core state for the calculation of double and triple differential cross sections
• ner, ermin, ermax
• jsets(:): array of jpsets indexes to be included in the computation of double and triple differential cross sections
• itarg(:): array to select the target state for the calculation of scattering amplitudes and cross sections (default=1)

FRAMEWORK namelist: sys, idet

• sys=lab/com
• idet: specifies if the energy of triple differential cross section correspods to the core (idet=1) or valence (idet=2) particles

GRIDENER namelist: Enlow, Enup, dEn

• Energy grid of detected particle

GRIDTHETAC namelist tcl, tcu, dtc

• Theta angle grid of core particle

GRIDTHETAV namelist: tvl, tvu, dtv

• Theta angle grid of valence particle

GRIDPHI namelist: phil, phiu, dphi

• Phi angle grid. Computed cross sections assume that phi=0 for the core.